[4-(5-acetyl-4-methyl-1,3-thiazol-2-yl)phenyl] carbamate

C13H12N2O3S — CID 174459301

IUPAC[4-(5-acetyl-4-methyl-1,3-thiazol-2-yl)phenyl] carbamate
SMILESCC(=O)c1sc(-c2ccc(OC(N)=O)cc2)nc1C
InChIInChI=1S/C13H12N2O3S/c1-7-11(8(2)16)19-12(15-7)9-3-5-10(6-4-9)18-13(14)17/h3-6H,1-2H3,(H2,14,17)
InChIKeyTWCRTSIQEZFLGR-UHFFFAOYSA-N
MW276.32 g/mol
LogP2.78
Rot. Bonds3

About [4-(5-acetyl-4-methyl-1,3-thiazol-2-yl)phenyl] carbamate

[4-(5-acetyl-4-methyl-1,3-thiazol-2-yl)phenyl] carbamate (PubChem CID 174459301) has the molecular formula C13H12N2O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is [4-(5-acetyl-4-methyl-1,3-thiazol-2-yl)phenyl] carbamate.

Molecular Properties

Compound Name[4-(5-acetyl-4-methyl-1,3-thiazol-2-yl)phenyl] carbamate
PubChem CID174459301
Molecular FormulaC13H12N2O3S
Molecular Weight276.32 g/mol
Exact Mass276.06
IUPAC Name[4-(5-acetyl-4-methyl-1,3-thiazol-2-yl)phenyl] carbamate
SMILESCC(=O)c1sc(-c2ccc(OC(N)=O)cc2)nc1C
InChIInChI=1S/C13H12N2O3S/c1-7-11(8(2)16)19-12(15-7)9-3-5-10(6-4-9)18-13(14)17/h3-6H,1-2H3,(H2,14,17)
InChIKeyTWCRTSIQEZFLGR-UHFFFAOYSA-N
XLogP2.78
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbohydrazide
CID 82427094
1-[2-[4-(dimethylamino)phenyl]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 9173873
4-(5-acetyl-4-methyl-1,3-thiazol-2-yl)benzaldehyde
CID 143281341
2-(4-methoxyphenyl)-4-methyl-N-phenylmethoxy-1,3-thiazole-5-carboxamide
CID 18139180
1-[2-(4-bromo-3-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 66481650
1-[2-(3-hydroxy-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 61288983
1-[4-methyl-2-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]-1,3-thiazol-5-yl]ethanone
CID 51132603
ethyl 2-(4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate;hydrochloride
CID 136661905
N'-[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 55616426
(4-methoxyphenyl)methyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 16578998
4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbothioamide
CID 82425828
2-(4-methoxyphenyl)-4-methyl-N-(2H-tetrazol-5-yl)-1,3-thiazole-5-carboxamide
CID 14772776

Frequently Asked Questions

What is the IUPAC name of [4-(5-acetyl-4-methyl-1,3-thiazol-2-yl)phenyl] carbamate?
The IUPAC name of [4-(5-acetyl-4-methyl-1,3-thiazol-2-yl)phenyl] carbamate (CID 174459301) is [4-(5-acetyl-4-methyl-1,3-thiazol-2-yl)phenyl] carbamate.
What is the SMILES notation for [4-(5-acetyl-4-methyl-1,3-thiazol-2-yl)phenyl] carbamate?
The canonical SMILES for [4-(5-acetyl-4-methyl-1,3-thiazol-2-yl)phenyl] carbamate is CC(=O)c1sc(-c2ccc(OC(N)=O)cc2)nc1C.
What is the InChIKey of [4-(5-acetyl-4-methyl-1,3-thiazol-2-yl)phenyl] carbamate?
The InChIKey is TWCRTSIQEZFLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3S/c1-7-11(8(2)16)19-12(15-7)9-3-5-10(6-4-9)18-13(14)17/h3-6H,1-2H3,(H2,14,17).
What are the key properties of [4-(5-acetyl-4-methyl-1,3-thiazol-2-yl)phenyl] carbamate?
[4-(5-acetyl-4-methyl-1,3-thiazol-2-yl)phenyl] carbamate has a molecular weight of 276.32 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-acetyl-4-methyl-1,3-thiazol-2-yl)phenyl] carbamate is sourced from PubChem (CID 174459301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).