(5-acetyl-4-methyl-1,3-thiazol-2-yl)-phenylcarbamic acid

C13H12N2O3S — CID 69134146

IUPAC(5-acetyl-4-methyl-1,3-thiazol-2-yl)-phenylcarbamic acid
SMILESCC(=O)c1sc(N(C(=O)O)c2ccccc2)nc1C
InChIInChI=1S/C13H12N2O3S/c1-8-11(9(2)16)19-12(14-8)15(13(17)18)10-6-4-3-5-7-10/h3-7H,1-2H3,(H,17,18)
InChIKeyKABPXQZTNKOPNV-UHFFFAOYSA-N
MW276.32 g/mol
LogP3.47
Rot. Bonds3

About (5-acetyl-4-methyl-1,3-thiazol-2-yl)-phenylcarbamic acid

(5-acetyl-4-methyl-1,3-thiazol-2-yl)-phenylcarbamic acid (PubChem CID 69134146) has the molecular formula C13H12N2O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is (5-acetyl-4-methyl-1,3-thiazol-2-yl)-phenylcarbamic acid.

Molecular Properties

Compound Name(5-acetyl-4-methyl-1,3-thiazol-2-yl)-phenylcarbamic acid
PubChem CID69134146
Molecular FormulaC13H12N2O3S
Molecular Weight276.32 g/mol
Exact Mass276.06
IUPAC Name(5-acetyl-4-methyl-1,3-thiazol-2-yl)-phenylcarbamic acid
SMILESCC(=O)c1sc(N(C(=O)O)c2ccccc2)nc1C
InChIInChI=1S/C13H12N2O3S/c1-8-11(9(2)16)19-12(14-8)15(13(17)18)10-6-4-3-5-7-10/h3-7H,1-2H3,(H,17,18)
InChIKeyKABPXQZTNKOPNV-UHFFFAOYSA-N
XLogP3.47
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-methyl-2-(N-phenylanilino)-1,3-thiazol-5-yl]ethanone
CID 17391570
(4,5-dimethyl-1,3-thiazol-2-yl)-phenylcarbamic acid
CID 118954162
4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
CID 30134205
1-[2-(N-ethyl-4-methylanilino)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 62752167
1-[4-amino-2-(N-methylanilino)-1,3-thiazol-5-yl]ethanone
CID 134113848
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-N-methyl-2-oxopropanamide
CID 110478273
1-[2-[2,2-dimethylpropyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 62751156
2-[benzyl(ethyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 62764764
cobalt;bis(diphenylcarbamic acid)
CID 155679078
N-(3-acetamidophenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
CID 30141884
2-(dimethylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 8893174
1-(2-bromo-4-methyl-1,3-thiazol-5-yl)ethanone
CID 66644881

Frequently Asked Questions

What is the IUPAC name of (5-acetyl-4-methyl-1,3-thiazol-2-yl)-phenylcarbamic acid?
The IUPAC name of (5-acetyl-4-methyl-1,3-thiazol-2-yl)-phenylcarbamic acid (CID 69134146) is (5-acetyl-4-methyl-1,3-thiazol-2-yl)-phenylcarbamic acid.
What is the SMILES notation for (5-acetyl-4-methyl-1,3-thiazol-2-yl)-phenylcarbamic acid?
The canonical SMILES for (5-acetyl-4-methyl-1,3-thiazol-2-yl)-phenylcarbamic acid is CC(=O)c1sc(N(C(=O)O)c2ccccc2)nc1C.
What is the InChIKey of (5-acetyl-4-methyl-1,3-thiazol-2-yl)-phenylcarbamic acid?
The InChIKey is KABPXQZTNKOPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3S/c1-8-11(9(2)16)19-12(14-8)15(13(17)18)10-6-4-3-5-7-10/h3-7H,1-2H3,(H,17,18).
What are the key properties of (5-acetyl-4-methyl-1,3-thiazol-2-yl)-phenylcarbamic acid?
(5-acetyl-4-methyl-1,3-thiazol-2-yl)-phenylcarbamic acid has a molecular weight of 276.32 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-acetyl-4-methyl-1,3-thiazol-2-yl)-phenylcarbamic acid is sourced from PubChem (CID 69134146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).