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

C13H12N2O3S — CID 60871159

IUPAC3-methyl-5-[(4-methylbenzoyl)amino]-1,2-thiazole-4-carboxylic acid
SMILESCc1ccc(C(=O)Nc2snc(C)c2C(=O)O)cc1
InChIInChI=1S/C13H12N2O3S/c1-7-3-5-9(6-4-7)11(16)14-12-10(13(17)18)8(2)15-19-12/h3-6H,1-2H3,(H,14,16)(H,17,18)
InChIKeyZTHCTLFXQSQNQM-UHFFFAOYSA-N
MW276.32 g/mol
LogP2.71
Rot. Bonds3

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

3-methyl-5-[(4-methylbenzoyl)amino]-1,2-thiazole-4-carboxylic acid (PubChem CID 60871159) has the molecular formula C13H12N2O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is 3-methyl-5-[(4-methylbenzoyl)amino]-1,2-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-[(4-methylbenzoyl)amino]-1,2-thiazole-4-carboxylic acid
PubChem CID60871159
Molecular FormulaC13H12N2O3S
Molecular Weight276.32 g/mol
Exact Mass276.06
IUPAC Name3-methyl-5-[(4-methylbenzoyl)amino]-1,2-thiazole-4-carboxylic acid
SMILESCc1ccc(C(=O)Nc2snc(C)c2C(=O)O)cc1
InChIInChI=1S/C13H12N2O3S/c1-7-3-5-9(6-4-7)11(16)14-12-10(13(17)18)8(2)15-19-12/h3-6H,1-2H3,(H,14,16)(H,17,18)
InChIKeyZTHCTLFXQSQNQM-UHFFFAOYSA-N
XLogP2.71
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-5-(pyridazine-4-carbonylamino)-1,2-thiazole-4-carboxylic acid
CID 104669483
5-[(3,5-dibromobenzoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 107971278
3-methyl-5-[(2-methylpyridine-4-carbonyl)amino]-1,2-thiazole-4-carboxylic acid
CID 106752533
5-[(3-bromo-4-chlorobenzoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 107997772
5-[(3-amino-4-bromobenzoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 107813189
5-[(4-bromo-3-chlorobenzoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 81290340
3-methyl-5-(4-methylanilino)-1,2-thiazole-4-carboxylic acid
CID 79402442
5-[(3-bromobenzoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 60868992
5-[(2-methoxy-5-methylbenzoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 60869940
3-methyl-5-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]-1,2-thiazole-4-carboxylic acid
CID 60871082
3-methyl-5-[(1-methyl-2-oxopyridine-4-carbonyl)amino]-1,2-thiazole-4-carboxylic acid
CID 60869010
3-methyl-5-[(4-methylphenyl)sulfonylamino]-1,2-thiazole-4-carboxylic acid
CID 60868846

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(4-methylbenzoyl)amino]-1,2-thiazole-4-carboxylic acid?
The IUPAC name of 3-methyl-5-[(4-methylbenzoyl)amino]-1,2-thiazole-4-carboxylic acid (CID 60871159) is 3-methyl-5-[(4-methylbenzoyl)amino]-1,2-thiazole-4-carboxylic acid.
What is the SMILES notation for 3-methyl-5-[(4-methylbenzoyl)amino]-1,2-thiazole-4-carboxylic acid?
The canonical SMILES for 3-methyl-5-[(4-methylbenzoyl)amino]-1,2-thiazole-4-carboxylic acid is Cc1ccc(C(=O)Nc2snc(C)c2C(=O)O)cc1.
What is the InChIKey of 3-methyl-5-[(4-methylbenzoyl)amino]-1,2-thiazole-4-carboxylic acid?
The InChIKey is ZTHCTLFXQSQNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3S/c1-7-3-5-9(6-4-7)11(16)14-12-10(13(17)18)8(2)15-19-12/h3-6H,1-2H3,(H,14,16)(H,17,18).
What are the key properties of 3-methyl-5-[(4-methylbenzoyl)amino]-1,2-thiazole-4-carboxylic acid?
3-methyl-5-[(4-methylbenzoyl)amino]-1,2-thiazole-4-carboxylic acid has a molecular weight of 276.32 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(4-methylbenzoyl)amino]-1,2-thiazole-4-carboxylic acid is sourced from PubChem (CID 60871159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).