3-[(2-amino-1,3-thiazole-4-carbonyl)amino]-4-methoxybenzoic acid

C12H11N3O4S — CID 63744459

IUPAC3-[(2-amino-1,3-thiazole-4-carbonyl)amino]-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1NC(=O)c1csc(N)n1
InChIInChI=1S/C12H11N3O4S/c1-19-9-3-2-6(11(17)18)4-7(9)14-10(16)8-5-20-12(13)15-8/h2-5H,1H3,(H2,13,15)(H,14,16)(H,17,18)
InChIKeyZVQRTWLJHGGGBW-UHFFFAOYSA-N
MW293.30 g/mol
LogP1.68
Rot. Bonds4

About 3-[(2-amino-1,3-thiazole-4-carbonyl)amino]-4-methoxybenzoic acid

3-[(2-amino-1,3-thiazole-4-carbonyl)amino]-4-methoxybenzoic acid (PubChem CID 63744459) has the molecular formula C12H11N3O4S and a molecular weight of 293.30 g/mol. Its IUPAC name is 3-[(2-amino-1,3-thiazole-4-carbonyl)amino]-4-methoxybenzoic acid.

Molecular Properties

Compound Name3-[(2-amino-1,3-thiazole-4-carbonyl)amino]-4-methoxybenzoic acid
PubChem CID63744459
Molecular FormulaC12H11N3O4S
Molecular Weight293.30 g/mol
Exact Mass293.05
IUPAC Name3-[(2-amino-1,3-thiazole-4-carbonyl)amino]-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1NC(=O)c1csc(N)n1
InChIInChI=1S/C12H11N3O4S/c1-19-9-3-2-6(11(17)18)4-7(9)14-10(16)8-5-20-12(13)15-8/h2-5H,1H3,(H2,13,15)(H,14,16)(H,17,18)
InChIKeyZVQRTWLJHGGGBW-UHFFFAOYSA-N
XLogP1.68
TPSA114.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[(2-amino-1,3-thiazole-4-carbonyl)amino]-4-fluorobenzoate
CID 62786661
2-amino-N-(4-cyano-2-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 104848874
3-[(3-chloro-4-methoxybenzoyl)amino]-4-methoxybenzoic acid
CID 28673376
3-[(5-chlorothiophene-2-carbonyl)amino]-4-methoxybenzoic acid
CID 63742413
4-[(5-carboxy-2-methoxyphenyl)carbamoyl]benzene-1,3-dicarboxylic acid
CID 53269765
2-amino-N-[5-(ethylcarbamoyl)-2-methylphenyl]-1,3-thiazole-4-carboxamide
CID 62787357
methyl 2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-4-chlorobenzoate
CID 62787676
2-[(3,5-dimethoxybenzoyl)amino]-N-(2,5-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 16915286
N-(4-acetylphenyl)-2-amino-1,3-thiazole-4-carboxamide
CID 62787747
2-amino-N-(5-chloro-2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 55116247
4-methoxy-3-(naphthalene-1-carbonylamino)benzoic acid
CID 28668454
4-methoxy-3-(2-methylpropanoylamino)benzoic acid
CID 63742748

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-1,3-thiazole-4-carbonyl)amino]-4-methoxybenzoic acid?
The IUPAC name of 3-[(2-amino-1,3-thiazole-4-carbonyl)amino]-4-methoxybenzoic acid (CID 63744459) is 3-[(2-amino-1,3-thiazole-4-carbonyl)amino]-4-methoxybenzoic acid.
What is the SMILES notation for 3-[(2-amino-1,3-thiazole-4-carbonyl)amino]-4-methoxybenzoic acid?
The canonical SMILES for 3-[(2-amino-1,3-thiazole-4-carbonyl)amino]-4-methoxybenzoic acid is COc1ccc(C(=O)O)cc1NC(=O)c1csc(N)n1.
What is the InChIKey of 3-[(2-amino-1,3-thiazole-4-carbonyl)amino]-4-methoxybenzoic acid?
The InChIKey is ZVQRTWLJHGGGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O4S/c1-19-9-3-2-6(11(17)18)4-7(9)14-10(16)8-5-20-12(13)15-8/h2-5H,1H3,(H2,13,15)(H,14,16)(H,17,18).
What are the key properties of 3-[(2-amino-1,3-thiazole-4-carbonyl)amino]-4-methoxybenzoic acid?
3-[(2-amino-1,3-thiazole-4-carbonyl)amino]-4-methoxybenzoic acid has a molecular weight of 293.30 g/mol, XLogP of 1.68, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-1,3-thiazole-4-carbonyl)amino]-4-methoxybenzoic acid is sourced from PubChem (CID 63744459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).