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

C13H13N3O4S — CID 115413519

IUPAC5-[(2-amino-5-methoxybenzoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
SMILESCOc1ccc(N)c(C(=O)Nc2snc(C)c2C(=O)O)c1
InChIInChI=1S/C13H13N3O4S/c1-6-10(13(18)19)12(21-16-6)15-11(17)8-5-7(20-2)3-4-9(8)14/h3-5H,14H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyKIKQJPHGKRFCAQ-UHFFFAOYSA-N
MW307.33 g/mol
LogP1.99
Rot. Bonds4

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

5-[(2-amino-5-methoxybenzoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid (PubChem CID 115413519) has the molecular formula C13H13N3O4S and a molecular weight of 307.33 g/mol. Its IUPAC name is 5-[(2-amino-5-methoxybenzoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(2-amino-5-methoxybenzoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
PubChem CID115413519
Molecular FormulaC13H13N3O4S
Molecular Weight307.33 g/mol
Exact Mass307.06
IUPAC Name5-[(2-amino-5-methoxybenzoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
SMILESCOc1ccc(N)c(C(=O)Nc2snc(C)c2C(=O)O)c1
InChIInChI=1S/C13H13N3O4S/c1-6-10(13(18)19)12(21-16-6)15-11(17)8-5-7(20-2)3-4-9(8)14/h3-5H,14H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyKIKQJPHGKRFCAQ-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-[(2-methoxy-5-methylbenzoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 60869940
5-[(3-amino-4-bromobenzoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 107813189
2-amino-5-methoxybenzoic acid;hydrochloride
CID 15618229
5-[(2-bromobenzoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 60870770
2-amino-5-methoxy-N-(2-methyl-4-pyridinyl)benzamide
CID 79235180
5-[(3,5-dibromobenzoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 107971278
2-amino-5-methoxy-N-pyrimidin-2-ylbenzamide
CID 54878484
2-amino-N-(4-iodo-2-methylphenyl)-5-methoxybenzamide
CID 115412666
2-amino-N-(3-cyanothiophen-2-yl)-5-methoxybenzamide
CID 61118422
5-[(2-amino-5-methoxybenzoyl)amino]pyridine-2-carboxylic acid
CID 115413708
3-methyl-5-[(2-methylpyridine-4-carbonyl)amino]-1,2-thiazole-4-carboxylic acid
CID 106752533
2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-5-methoxybenzamide
CID 83166414

Frequently Asked Questions

What is the IUPAC name of 5-[(2-amino-5-methoxybenzoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid?
The IUPAC name of 5-[(2-amino-5-methoxybenzoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid (CID 115413519) is 5-[(2-amino-5-methoxybenzoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-[(2-amino-5-methoxybenzoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid?
The canonical SMILES for 5-[(2-amino-5-methoxybenzoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid is COc1ccc(N)c(C(=O)Nc2snc(C)c2C(=O)O)c1.
What is the InChIKey of 5-[(2-amino-5-methoxybenzoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid?
The InChIKey is KIKQJPHGKRFCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4S/c1-6-10(13(18)19)12(21-16-6)15-11(17)8-5-7(20-2)3-4-9(8)14/h3-5H,14H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 5-[(2-amino-5-methoxybenzoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid?
5-[(2-amino-5-methoxybenzoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic 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 5-[(2-amino-5-methoxybenzoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid is sourced from PubChem (CID 115413519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).