4-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-methoxybenzoic acid

C13H13N3O4S — CID 107208052

IUPAC4-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-methoxybenzoic acid
SMILESCOc1cc(NC(=O)c2sc(N)nc2C)ccc1C(=O)O
InChIInChI=1S/C13H13N3O4S/c1-6-10(21-13(14)15-6)11(17)16-7-3-4-8(12(18)19)9(5-7)20-2/h3-5H,1-2H3,(H2,14,15)(H,16,17)(H,18,19)
InChIKeyHPPJDFHKLZEERH-UHFFFAOYSA-N
MW307.33 g/mol
LogP1.99
Rot. Bonds4

About 4-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-methoxybenzoic acid

4-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-methoxybenzoic acid (PubChem CID 107208052) has the molecular formula C13H13N3O4S and a molecular weight of 307.33 g/mol. Its IUPAC name is 4-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-methoxybenzoic acid.

Molecular Properties

Compound Name4-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-methoxybenzoic acid
PubChem CID107208052
Molecular FormulaC13H13N3O4S
Molecular Weight307.33 g/mol
Exact Mass307.06
IUPAC Name4-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-methoxybenzoic acid
SMILESCOc1cc(NC(=O)c2sc(N)nc2C)ccc1C(=O)O
InChIInChI=1S/C13H13N3O4S/c1-6-10(21-13(14)15-6)11(17)16-7-3-4-8(12(18)19)9(5-7)20-2/h3-5H,1-2H3,(H2,14,15)(H,16,17)(H,18,19)
InChIKeyHPPJDFHKLZEERH-UHFFFAOYSA-N
XLogP1.99
TPSA114.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62793227
5-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-2,3-dimethylbenzoic acid
CID 63021221
2-amino-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 735558
2-amino-4-methyl-N-naphthalen-2-yl-1,3-thiazole-5-carboxamide
CID 62794262
2-amino-N-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62793569
4-(carbamoylamino)-2-methoxybenzoic acid
CID 107208856
2-amino-N-[4-(2-methoxyethoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 62793426
2-methoxy-4-[(4-methylbenzoyl)amino]benzoic acid
CID 107208693
2-amino-N-(4-tert-butylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62794412
2-amino-4-methyl-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide
CID 62792729
N-(5-acetamido-2-methylphenyl)-2-amino-4-methyl-1,3-thiazole-5-carboxamide
CID 62794259
2-amino-N-(1H-indazol-6-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 55115347

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-methoxybenzoic acid?
The IUPAC name of 4-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-methoxybenzoic acid (CID 107208052) is 4-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-methoxybenzoic acid.
What is the SMILES notation for 4-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-methoxybenzoic acid?
The canonical SMILES for 4-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-methoxybenzoic acid is COc1cc(NC(=O)c2sc(N)nc2C)ccc1C(=O)O.
What is the InChIKey of 4-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-methoxybenzoic acid?
The InChIKey is HPPJDFHKLZEERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4S/c1-6-10(21-13(14)15-6)11(17)16-7-3-4-8(12(18)19)9(5-7)20-2/h3-5H,1-2H3,(H2,14,15)(H,16,17)(H,18,19).
What are the key properties of 4-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-methoxybenzoic acid?
4-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-methoxybenzoic acid has a molecular weight of 307.33 g/mol, XLogP of 1.99, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-methoxybenzoic acid is sourced from PubChem (CID 107208052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).