4-methoxy-2-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]benzoic acid

C13H13N3O4S — CID 115412042

IUPAC4-methoxy-2-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]benzoic acid
SMILESCOc1ccc(C(=O)O)c(NC(=O)Nc2nc(C)cs2)c1
InChIInChI=1S/C13H13N3O4S/c1-7-6-21-13(14-7)16-12(19)15-10-5-8(20-2)3-4-9(10)11(17)18/h3-6H,1-2H3,(H,17,18)(H2,14,15,16,19)
InChIKeyHAZCGGOXMXLYDL-UHFFFAOYSA-N
MW307.33 g/mol
LogP2.80
Rot. Bonds4

About 4-methoxy-2-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]benzoic acid

4-methoxy-2-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]benzoic acid (PubChem CID 115412042) has the molecular formula C13H13N3O4S and a molecular weight of 307.33 g/mol. Its IUPAC name is 4-methoxy-2-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]benzoic acid.

Molecular Properties

Compound Name4-methoxy-2-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]benzoic acid
PubChem CID115412042
Molecular FormulaC13H13N3O4S
Molecular Weight307.33 g/mol
Exact Mass307.06
IUPAC Name4-methoxy-2-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]benzoic acid
SMILESCOc1ccc(C(=O)O)c(NC(=O)Nc2nc(C)cs2)c1
InChIInChI=1S/C13H13N3O4S/c1-7-6-21-13(14-7)16-12(19)15-10-5-8(20-2)3-4-9(10)11(17)18/h3-6H,1-2H3,(H,17,18)(H2,14,15,16,19)
InChIKeyHAZCGGOXMXLYDL-UHFFFAOYSA-N
XLogP2.80
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-methoxy-2-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]benzoic 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-[(5-bromo-1,3-thiazol-2-yl)carbamoylamino]-4-methoxybenzoic acid
CID 115412120
2-hydroxy-4-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]benzoic acid
CID 61195157
5-methoxy-2-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoic acid
CID 168617724
6-methoxy-N-(4-methyl-1,3-thiazol-2-yl)quinoline-2-carboxamide
CID 35801722
2-(cyclopropylcarbamoylamino)-4-methoxybenzoic acid
CID 113304992
4-methoxy-2-(3-methylpentan-2-ylcarbamoylamino)benzoic acid
CID 115412182
4-methoxy-2-[(2-methyl-1,2,4-triazol-3-yl)carbamoylamino]benzoic acid
CID 115412327
6-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-2-oxochromene-3-carboxamide
CID 4913043
2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzoic acid
CID 104601339
4-methoxy-2-(methylamino)benzoic acid
CID 70479848
2-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 30941542
2-[2-(carbamoylamino)propanoylamino]-4-methoxybenzoic acid
CID 115411113

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]benzoic acid?
The IUPAC name of 4-methoxy-2-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]benzoic acid (CID 115412042) is 4-methoxy-2-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]benzoic acid.
What is the SMILES notation for 4-methoxy-2-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]benzoic acid?
The canonical SMILES for 4-methoxy-2-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]benzoic acid is COc1ccc(C(=O)O)c(NC(=O)Nc2nc(C)cs2)c1.
What is the InChIKey of 4-methoxy-2-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]benzoic acid?
The InChIKey is HAZCGGOXMXLYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4S/c1-7-6-21-13(14-7)16-12(19)15-10-5-8(20-2)3-4-9(10)11(17)18/h3-6H,1-2H3,(H,17,18)(H2,14,15,16,19).
What are the key properties of 4-methoxy-2-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]benzoic acid?
4-methoxy-2-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]benzoic acid has a molecular weight of 307.33 g/mol, XLogP of 2.80, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]benzoic acid is sourced from PubChem (CID 115412042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).