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

C15H14N2O3S — CID 82226493

IUPAC4-cyclopropyl-2-[(3-methylbenzoyl)amino]-1,3-thiazole-5-carboxylic acid
SMILESCc1cccc(C(=O)Nc2nc(C3CC3)c(C(=O)O)s2)c1
InChIInChI=1S/C15H14N2O3S/c1-8-3-2-4-10(7-8)13(18)17-15-16-11(9-5-6-9)12(21-15)14(19)20/h2-4,7,9H,5-6H2,1H3,(H,19,20)(H,16,17,18)
InChIKeyQKPJITQHKGNXBI-UHFFFAOYSA-N
MW302.35 g/mol
LogP3.28
Rot. Bonds4

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

4-cyclopropyl-2-[(3-methylbenzoyl)amino]-1,3-thiazole-5-carboxylic acid (PubChem CID 82226493) has the molecular formula C15H14N2O3S and a molecular weight of 302.35 g/mol. Its IUPAC name is 4-cyclopropyl-2-[(3-methylbenzoyl)amino]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-cyclopropyl-2-[(3-methylbenzoyl)amino]-1,3-thiazole-5-carboxylic acid
PubChem CID82226493
Molecular FormulaC15H14N2O3S
Molecular Weight302.35 g/mol
Exact Mass302.07
IUPAC Name4-cyclopropyl-2-[(3-methylbenzoyl)amino]-1,3-thiazole-5-carboxylic acid
SMILESCc1cccc(C(=O)Nc2nc(C3CC3)c(C(=O)O)s2)c1
InChIInChI=1S/C15H14N2O3S/c1-8-3-2-4-10(7-8)13(18)17-15-16-11(9-5-6-9)12(21-15)14(19)20/h2-4,7,9H,5-6H2,1H3,(H,19,20)(H,16,17,18)
InChIKeyQKPJITQHKGNXBI-UHFFFAOYSA-N
XLogP3.28
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyclopropyl-2-[(4-fluorobenzoyl)amino]-1,3-thiazole-5-carboxylic acid
CID 94970365
4-methyl-2-[(3-methylbenzoyl)amino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 3870990
2-[4-methyl-2-[(3-methylbenzoyl)amino]-1,3-thiazol-5-yl]acetic acid
CID 82058766
propan-2-yl 4-methyl-2-[(3-methylbenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 110441431
N-[6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-methylbenzamide
CID 123442999
4-cyclopropyl-2-[(2-phenoxyacetyl)amino]-1,3-thiazole-5-carboxylic acid
CID 94970372
4-methyl-2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-5-carboxylic acid
CID 87633596
4-cyclopropyl-2-[methyl-[(3-methylphenyl)methyl]amino]-1,3-thiazole-5-carboxylic acid
CID 63918570
3-methyl-N-(5-phenyl-1,3-thiazol-2-yl)benzamide
CID 58033086
4-cyclopropyl-2-(oxolane-2-carbonylamino)-1,3-thiazole-5-carboxylic acid
CID 82226488
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-[(3-methylbenzoyl)amino]-1,3-thiazole-5-carboxamide
CID 1468257
3-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 4191834

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-[(3-methylbenzoyl)amino]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-cyclopropyl-2-[(3-methylbenzoyl)amino]-1,3-thiazole-5-carboxylic acid (CID 82226493) is 4-cyclopropyl-2-[(3-methylbenzoyl)amino]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-cyclopropyl-2-[(3-methylbenzoyl)amino]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-cyclopropyl-2-[(3-methylbenzoyl)amino]-1,3-thiazole-5-carboxylic acid is Cc1cccc(C(=O)Nc2nc(C3CC3)c(C(=O)O)s2)c1.
What is the InChIKey of 4-cyclopropyl-2-[(3-methylbenzoyl)amino]-1,3-thiazole-5-carboxylic acid?
The InChIKey is QKPJITQHKGNXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c1-8-3-2-4-10(7-8)13(18)17-15-16-11(9-5-6-9)12(21-15)14(19)20/h2-4,7,9H,5-6H2,1H3,(H,19,20)(H,16,17,18).
What are the key properties of 4-cyclopropyl-2-[(3-methylbenzoyl)amino]-1,3-thiazole-5-carboxylic acid?
4-cyclopropyl-2-[(3-methylbenzoyl)amino]-1,3-thiazole-5-carboxylic acid has a molecular weight of 302.35 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-[(3-methylbenzoyl)amino]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 82226493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).