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

C14H14N2O4S — CID 60869940

IUPAC5-[(2-methoxy-5-methylbenzoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
SMILESCOc1ccc(C)cc1C(=O)Nc1snc(C)c1C(=O)O
InChIInChI=1S/C14H14N2O4S/c1-7-4-5-10(20-3)9(6-7)12(17)15-13-11(14(18)19)8(2)16-21-13/h4-6H,1-3H3,(H,15,17)(H,18,19)
InChIKeyFZZPRCMWEFLXOH-UHFFFAOYSA-N
MW306.34 g/mol
LogP2.72
Rot. Bonds4

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

5-[(2-methoxy-5-methylbenzoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid (PubChem CID 60869940) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is 5-[(2-methoxy-5-methylbenzoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(2-methoxy-5-methylbenzoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
PubChem CID60869940
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC Name5-[(2-methoxy-5-methylbenzoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
SMILESCOc1ccc(C)cc1C(=O)Nc1snc(C)c1C(=O)O
InChIInChI=1S/C14H14N2O4S/c1-7-4-5-10(20-3)9(6-7)12(17)15-13-11(14(18)19)8(2)16-21-13/h4-6H,1-3H3,(H,15,17)(H,18,19)
InChIKeyFZZPRCMWEFLXOH-UHFFFAOYSA-N
XLogP2.72
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-methoxy-5-methylanilino)-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79402049
5-[(2-amino-5-methoxybenzoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 115413519
3-methyl-5-[(4-methylbenzoyl)amino]-1,2-thiazole-4-carboxylic acid
CID 60871159
5-[(3,4-dimethoxyphenyl)methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79397195
N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide
CID 35412502
5-(2,4-dimethoxyanilino)-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79402513
3-methyl-5-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]-1,2-thiazole-4-carboxylic acid
CID 60871082
5-(4-bromo-3-methoxyanilino)-3-methyl-1,2-thiazole-4-carboxylic acid
CID 82860177
(2R)-2-[(2-methoxy-5-methylbenzoyl)amino]-3-methylbutanoic acid
CID 79010669
5-[(2-methoxy-5-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 63154692
3-methyl-5-(4-methylanilino)-1,2-thiazole-4-carboxylic acid
CID 79402442
ethyl 5-(2-methoxy-5-methylanilino)-3-methyl-1,2-thiazole-4-carboxylate
CID 79371007

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxy-5-methylbenzoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid?
The IUPAC name of 5-[(2-methoxy-5-methylbenzoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid (CID 60869940) is 5-[(2-methoxy-5-methylbenzoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-[(2-methoxy-5-methylbenzoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid?
The canonical SMILES for 5-[(2-methoxy-5-methylbenzoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid is COc1ccc(C)cc1C(=O)Nc1snc(C)c1C(=O)O.
What is the InChIKey of 5-[(2-methoxy-5-methylbenzoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid?
The InChIKey is FZZPRCMWEFLXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S/c1-7-4-5-10(20-3)9(6-7)12(17)15-13-11(14(18)19)8(2)16-21-13/h4-6H,1-3H3,(H,15,17)(H,18,19).
What are the key properties of 5-[(2-methoxy-5-methylbenzoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid?
5-[(2-methoxy-5-methylbenzoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid has a molecular weight of 306.34 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxy-5-methylbenzoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid is sourced from PubChem (CID 60869940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).