5-(((5-(tert-Butyl)oxazol-2-yl)methyl)thio)thiazol-2-amine

HCID 11065484

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Basic information

CAS: 224436-97-9
Standard SMILES: CC(C)(C)c1cnc(CSc2cnc(N)s2)o1
InChIKey: UNUCZJRZFFSFFA-UHFFFAOYSA-N
Molecular formula: C11H15N3OS2
Average molar mass: 269.4 g/mol
Monoisotopic mass: 269.0656541

Names & identifiers

Preferred name: 5-(((5-(tert-Butyl)oxazol-2-yl)methyl)thio)thiazol-2-amine
IUPAC: 5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-amine
English name: 5-{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl}-1,3-thiazol-2-amine
Molecular formula: C11H15N3OS2
Molecular weight: 269.39

Names & synonyms

224436-97-95-(((5-(tert-Butyl)oxazol-2-yl)methyl)thio)thiazol-2-amine5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-amine5-{[(5-TERT-BUTYL-1,3-OXAZOL-2-YL)METHYL]SULFANYL}-1,3-THIAZOL-2-AMINECHEMBL5075365-((5-tert-butyloxazol-2-yl)methylthio)thiazol-2-amineAC-7888SCHEMBL960172DTXSID20453973UNUCZJRZFFSFFA-UHFFFAOYSA-N5-[(5-tert-butyloxazol-2-yl)methylsulfanyl]thiazol-2-amineBDBM50293181

Show more names

2-aMino-5-[[[5-(1,1-diMethylethyl)-2-oxazolyl]Methyl]thio]-thiazole2-ThiazolaMine, 5-[[[5-(1,1-diMethylethyl)-2-oxazolyl]Methyl]thio]-

AKOS015951192DB-123570CS-0132535F6185542-amino-5-[[[5-(1,1-dimethylethyl)-2-oxazolyl]methyl]thio]thiazole

Database identifiers

CAS: 224436-97-9
PubChem CID: 11065484
DTXSID: DTXSID20453973
ChEMBL: CHEMBL507536

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 118 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 4
Heavy atoms: 17
Formal charge: 0
Complexity: 260

Physicochemical properties

Melting point: 118 · 118-121 °C
Boiling point: 412.1 · 412.1±30.0 °C(Predicted)
Density: 1.29 · 1.29±0.1 g/cm3(Predicted)
pka: 3.9 · 3.90±0.10(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338