Methyl 2-amino-4-(4-methoxyphenyl)thiazole-5-carboxylate

HCID 18177280
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Basic information

CAS
218631-55-1
Standard SMILES
COC(=O)c1sc(N)nc1-c1ccc(OC)cc1
InChIKey
UBSRFDCUXNFFFV-UHFFFAOYSA-N
Molecular formula
C12H12N2O3S
Average molar mass
264.3 g/mol
Monoisotopic mass
264.05686324

Names & identifiers

Preferred name
Methyl 2-amino-4-(4-methoxyphenyl)thiazole-5-carboxylate
IUPAC
methyl 2-amino-4-(4-methoxyphenyl)-1,3-thiazole-5-carboxylate
English name
2-AMINO-4-(4-METHOXYPHENYL)-5-THIAZOLECARBOXYLIC ACID METHYL ESTER
Molecular formula
C12H12N2O3S
Molecular weight
264.3

Names & synonyms

218631-55-1METHYL 2-AMINO-4-(4-METHOXYPHENYL)THIAZOLE-5-CARBOXYLATEMethyl 2-amino-4-(4-methoxyphenyl)-1,3-thiazole-5-carboxylateMFCD099989455-Methoxycarbonyl-4-p-methoxyphenyl-2-thiazolamineSCHEMBL7054148DTXSID10592587UBSRFDCUXNFFFV-UHFFFAOYSA-NMETHYL2-AMINO-4-(4-METHOXYPHENYL)THIAZOLE-5-CARBOXYLATE2-AMINO-4-(4-METHOXYPHENYL)-5-THIAZOLECARBOXYLIC ACID METHYL ESTERAKOS015854653BS-23604
Show more names
5-Thiazolecarboxylic acid, 2-amino-4-(4-methoxyphenyl)-, methyl ester
DA-08114CS-0211971EN300-73594912-Amino-4-(4-methoxyphenyl)-5-(carbomethoxy)thiazole

Database identifiers

CAS
218631-55-1
PubChem CID
18177280
DTXSID
DTXSID10592587

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
103 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
18

Physicochemical properties

Boiling point
471.9 · 471.9±40.0 °C(Predicted)
Density
1.311 · 1.311±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C
pka
2.65 · 2.65±0.10(Predicted)

Chemistry & industry

Suppliers14 total

郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
Aladdin Scientific[email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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