2-Amino-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide
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Grundinformationen
- CAS
302964-24-5- Standard-SMILES
Cc1cccc(Cl)c1NC(=O)c1cnc(N)s1- InChIKey
VVOXTERFTAJMAA-UHFFFAOYSA-N- Summenformel
- C11H10ClN3OS
- Durchschnittliche Molmasse
- 267,74 g/mol
- Monoisotopische Masse
- 267,0233108
Namen und Bezeichner
- Bevorzugter Name
- 2-Amino-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide
- IUPAC
- 2-amino-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide
- Englischer Name
- 2-Amino-N-(2-chloro-6-methylphenyl)thiazole-5-carboxamide
- Summenformel
- C11H10ClN3OS
- Molmasse
- 267.73
Namen und Synonyme
302964-24-52-AMINO-N-(2-CHLORO-6-METHYLPHENYL)THIAZOLE-5-CARBOXAMIDE2-amino-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide5-Thiazolecarboxamide, 2-amino-N-(2-chloro-6-methylphenyl)-2-amino-n-(2-chloro-6-methylphenyl)-5-thiazolecarboxamideVG8Y584N6RDTXSID80619972RefChem:464955DTXCID30570726460-280-9608-455-2MFCD10000630
Weitere Namen anzeigen
EOS-615152-Amino-N-(2-chLDasatinib Int N-2The dimer impurityDasatinib IMpurity 2Dasatinib Impurity09Dasatinib Impurity 27Dasatinib Impurity 65dasatinib interMediate
Dasatinib Impurity L5-Thiazolecarboxamide, 2-amino-N-(2-chloro-6-methylphenyl)-; 2-Amino-N-(2-chloro-6-methylphenyl)-5-thiazolecarboxamide; 2-Amino-N-(2-chloro-6-methylphenyl)thiazole-5-carboxamide2-Amino-N-(2-chloro-6-methylphenyl)thiazole -5-carboxamideUNII-VG8Y584N6RSCHEMBL1540030SCHEMBL296160142-amino-N-(2-chloro-6-methyl-phenyl)thiazole-5-carboxamideAKOS015897308
Datenbank-Bezeichner
- CAS
302964-24-5- PubChem CID
- 21911644
- DTXSID
DTXSID80619972- UNII
- VG8Y584N6R
- EC Number
- 460-280-9、608-455-2
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 2,8
- Polarare Oberfläche (TPSA)
- 96,3 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 17
- Formalladung
- 0
- Komplexität
- 292
Physikochemische Eigenschaften
- Schmelzpunkt
- 208 to · 208.0 to 212.0 °C
- Siedepunkt
- 362 · 362.0±37.0 °C(Predicted)
- Dichte
- 1.474 · 1.474±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- Löslichkeit
- DMSO (Slightly), Methanol (Sparingly)
- Aggregatzustand
- powder to crystal
- pka
- 11.09 · 11.09±0.70(Predicted)
- Farbe
- White to Light yellow
- InChI
- InChI=1S/C11H10ClN3OS/c1-6-3-2-4-7(12)9(6)15-10(16)8-5-14-11(13)17-8/h2-5H,1H3,(H2,13,14)(H,15,16)
- InChIKey
- VVOXTERFTAJMAA-UHFFFAOYSA-N
- SMILES
- S1C(C(NC2=C(C)C=CC=C2Cl)=O)=CN=C1N
- CAS Datenbank
- 302964 · 302964-24-5(CAS DataBase Reference)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]；H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H361 (100%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]；H372 (100%): Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure]；H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P203, P260, P261, P264, P270, P272, P273, P280, P301+P316, P302+P352, P318, P319, P321, P330, P333+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 105 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Regulatory InformationStatus: Active Update: 14-06-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/8634
Hazard Classes and Categories
Acute Tox. 3 (100%)；Skin Sens. 1 (100%)；Repr. 2 (100%)；STOT RE 1 (100%)；Aquatic Chronic 2 (100%)
Acute Tox. 3 (33.3%)；Skin Irrit. 2 (33.3%)；Eye Irrit. 2 (33.3%)；Muta. 2 (33.3%)；Carc. 2 (33.3%)；STOT SE 2 (33.3%)；STOT RE 2 (33.3%)
Regulatorische Informationen
Chemie und Industrie
Anwendungen
Beschreibung2-Amino-N-(2-chloro-6-methylphenyl)thiazole-5-carboxamide is a chemical compound characterized by its thiazole ring. This compound features an amino group (-NH2) and a carboxamide group (-C(=O)NH2), contributing to its potential as a bioactive molecule, making it of interest in medicinal chemistry and drug development.
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