3-methyl-5-[methyl-[2-(3-methylphenyl)acetyl]amino]-1,2-thiazole-4-carboxylic acid

C15H16N2O3S — CID 79397623

IUPAC3-methyl-5-[methyl-[2-(3-methylphenyl)acetyl]amino]-1,2-thiazole-4-carboxylic acid
SMILESCc1cccc(CC(=O)N(C)c2snc(C)c2C(=O)O)c1
InChIInChI=1S/C15H16N2O3S/c1-9-5-4-6-11(7-9)8-12(18)17(3)14-13(15(19)20)10(2)16-21-14/h4-7H,8H2,1-3H3,(H,19,20)
InChIKeyILHJZGYUBNXKFB-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.66
Rot. Bonds4

About 3-methyl-5-[methyl-[2-(3-methylphenyl)acetyl]amino]-1,2-thiazole-4-carboxylic acid

3-methyl-5-[methyl-[2-(3-methylphenyl)acetyl]amino]-1,2-thiazole-4-carboxylic acid (PubChem CID 79397623) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 3-methyl-5-[methyl-[2-(3-methylphenyl)acetyl]amino]-1,2-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-[methyl-[2-(3-methylphenyl)acetyl]amino]-1,2-thiazole-4-carboxylic acid
PubChem CID79397623
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name3-methyl-5-[methyl-[2-(3-methylphenyl)acetyl]amino]-1,2-thiazole-4-carboxylic acid
SMILESCc1cccc(CC(=O)N(C)c2snc(C)c2C(=O)O)c1
InChIInChI=1S/C15H16N2O3S/c1-9-5-4-6-11(7-9)8-12(18)17(3)14-13(15(19)20)10(2)16-21-14/h4-7H,8H2,1-3H3,(H,19,20)
InChIKeyILHJZGYUBNXKFB-UHFFFAOYSA-N
XLogP2.66
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[2-(4-chlorophenyl)acetyl]-methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79397342
3-methyl-5-[methyl-[(3-methylphenyl)carbamoyl]amino]-1,2-thiazole-4-carboxylic acid
CID 79397907
4-[methyl-[2-(3-methylphenyl)acetyl]amino]benzoic acid
CID 104698086
2-[methyl-[2-(3-methylphenyl)acetyl]amino]propanoic acid
CID 62626750
5-[(3-cyanobenzoyl)-methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79397222
3-methyl-5-[methyl(1H-pyrrole-2-carbonyl)amino]-1,2-thiazole-4-carboxylic acid
CID 79402389
5-[(2,5-dichlorobenzoyl)-methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79397341
5-[3-(2-amino-2-oxoethyl)sulfanylpropanoyl-methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79402471
N-[3-[2-(N,3-dimethylanilino)-2-oxoethyl]phenyl]-2-(4-fluorophenyl)-N-methylacetamide
CID 57214135
5-[(5-bromo-2-chlorobenzoyl)-methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79397515
1-[3-methyl-5-[(3-methylphenyl)methylamino]-1,2-thiazol-4-yl]ethanone
CID 79363944
1-(3-methylphenyl)-3-phenylpropan-2-one
CID 14882321

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[methyl-[2-(3-methylphenyl)acetyl]amino]-1,2-thiazole-4-carboxylic acid?
The IUPAC name of 3-methyl-5-[methyl-[2-(3-methylphenyl)acetyl]amino]-1,2-thiazole-4-carboxylic acid (CID 79397623) is 3-methyl-5-[methyl-[2-(3-methylphenyl)acetyl]amino]-1,2-thiazole-4-carboxylic acid.
What is the SMILES notation for 3-methyl-5-[methyl-[2-(3-methylphenyl)acetyl]amino]-1,2-thiazole-4-carboxylic acid?
The canonical SMILES for 3-methyl-5-[methyl-[2-(3-methylphenyl)acetyl]amino]-1,2-thiazole-4-carboxylic acid is Cc1cccc(CC(=O)N(C)c2snc(C)c2C(=O)O)c1.
What is the InChIKey of 3-methyl-5-[methyl-[2-(3-methylphenyl)acetyl]amino]-1,2-thiazole-4-carboxylic acid?
The InChIKey is ILHJZGYUBNXKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-9-5-4-6-11(7-9)8-12(18)17(3)14-13(15(19)20)10(2)16-21-14/h4-7H,8H2,1-3H3,(H,19,20).
What are the key properties of 3-methyl-5-[methyl-[2-(3-methylphenyl)acetyl]amino]-1,2-thiazole-4-carboxylic acid?
3-methyl-5-[methyl-[2-(3-methylphenyl)acetyl]amino]-1,2-thiazole-4-carboxylic acid has a molecular weight of 304.37 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[methyl-[2-(3-methylphenyl)acetyl]amino]-1,2-thiazole-4-carboxylic acid is sourced from PubChem (CID 79397623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).