2-[4-methyl-2-[(3-methylbenzoyl)amino]-1,3-thiazol-5-yl]acetic acid

C14H14N2O3S — CID 82058766

IUPAC2-[4-methyl-2-[(3-methylbenzoyl)amino]-1,3-thiazol-5-yl]acetic acid
SMILESCc1cccc(C(=O)Nc2nc(C)c(CC(=O)O)s2)c1
InChIInChI=1S/C14H14N2O3S/c1-8-4-3-5-10(6-8)13(19)16-14-15-9(2)11(20-14)7-12(17)18/h3-6H,7H2,1-2H3,(H,17,18)(H,15,16,19)
InChIKeyJZGUJMARNZYGSB-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.64
Rot. Bonds4

About 2-[4-methyl-2-[(3-methylbenzoyl)amino]-1,3-thiazol-5-yl]acetic acid

2-[4-methyl-2-[(3-methylbenzoyl)amino]-1,3-thiazol-5-yl]acetic acid (PubChem CID 82058766) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is 2-[4-methyl-2-[(3-methylbenzoyl)amino]-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4-methyl-2-[(3-methylbenzoyl)amino]-1,3-thiazol-5-yl]acetic acid
PubChem CID82058766
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name2-[4-methyl-2-[(3-methylbenzoyl)amino]-1,3-thiazol-5-yl]acetic acid
SMILESCc1cccc(C(=O)Nc2nc(C)c(CC(=O)O)s2)c1
InChIInChI=1S/C14H14N2O3S/c1-8-4-3-5-10(6-8)13(19)16-14-15-9(2)11(20-14)7-12(17)18/h3-6H,7H2,1-2H3,(H,17,18)(H,15,16,19)
InChIKeyJZGUJMARNZYGSB-UHFFFAOYSA-N
XLogP2.64
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-methyl-2-[(3-methylbenzoyl)amino]-1,3-thiazol-5-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-benzamido-4-methyl-1,3-thiazol-5-yl)acetic acid
CID 82058764
2-[4-methyl-2-[(2-methylbenzoyl)amino]-1,3-thiazol-5-yl]acetic acid
CID 82058765
2-(2-acetamido-4-methyl-1,3-thiazol-5-yl)acetic acid
CID 82058750
3-(2-benzamido-4-methyl-1,3-thiazol-5-yl)propanoic acid
CID 82058794
2-[2-[(2-fluorobenzoyl)amino]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 82058768
4-methyl-2-[(3-methylbenzoyl)amino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 3870990
propan-2-yl 4-methyl-2-[(3-methylbenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 110441431
2-[2-[(4-methylbenzoyl)amino]-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 39200245
2-[2-benzamido-4-(3,4-dimethylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 39200223
3-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 4191834
N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-4-methylbenzamide
CID 43837130
3-methyl-N-(5-phenyl-1,3-thiazol-2-yl)benzamide
CID 58033086

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-2-[(3-methylbenzoyl)amino]-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[4-methyl-2-[(3-methylbenzoyl)amino]-1,3-thiazol-5-yl]acetic acid (CID 82058766) is 2-[4-methyl-2-[(3-methylbenzoyl)amino]-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[4-methyl-2-[(3-methylbenzoyl)amino]-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[4-methyl-2-[(3-methylbenzoyl)amino]-1,3-thiazol-5-yl]acetic acid is Cc1cccc(C(=O)Nc2nc(C)c(CC(=O)O)s2)c1.
What is the InChIKey of 2-[4-methyl-2-[(3-methylbenzoyl)amino]-1,3-thiazol-5-yl]acetic acid?
The InChIKey is JZGUJMARNZYGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-8-4-3-5-10(6-8)13(19)16-14-15-9(2)11(20-14)7-12(17)18/h3-6H,7H2,1-2H3,(H,17,18)(H,15,16,19).
What are the key properties of 2-[4-methyl-2-[(3-methylbenzoyl)amino]-1,3-thiazol-5-yl]acetic acid?
2-[4-methyl-2-[(3-methylbenzoyl)amino]-1,3-thiazol-5-yl]acetic acid has a molecular weight of 290.34 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-2-[(3-methylbenzoyl)amino]-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 82058766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).