2-[(2-ethyl-6-methylphenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid

C14H14N2O3S — CID 116696510

IUPAC2-[(2-ethyl-6-methylphenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
SMILESCCc1cccc(C)c1NC(=O)c1nc(C(=O)O)cs1
InChIInChI=1S/C14H14N2O3S/c1-3-9-6-4-5-8(2)11(9)16-12(17)13-15-10(7-20-13)14(18)19/h4-7H,3H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyXHPMSJVWWJOEPH-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.96
Rot. Bonds4

About 2-[(2-ethyl-6-methylphenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid

2-[(2-ethyl-6-methylphenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 116696510) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is 2-[(2-ethyl-6-methylphenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(2-ethyl-6-methylphenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
PubChem CID116696510
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name2-[(2-ethyl-6-methylphenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
SMILESCCc1cccc(C)c1NC(=O)c1nc(C(=O)O)cs1
InChIInChI=1S/C14H14N2O3S/c1-3-9-6-4-5-8(2)11(9)16-12(17)13-15-10(7-20-13)14(18)19/h4-7H,3H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyXHPMSJVWWJOEPH-UHFFFAOYSA-N
XLogP2.96
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-ethylphenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696638
2-(2-ethyl-6-methylanilino)-1,3-thiazole-4-carboxylic acid
CID 79023890
2-(aminomethyl)-N-(2-ethyl-6-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119671103
N-(2,6-dimethylphenyl)-4-methyl-1,3-thiazole-2-carboxamide
CID 110696181
ethyl 4-[(2,6-dimethylphenyl)carbamoyl]-1,3-thiazole-2-carboxylate
CID 116697663
2-[2-(2,6-dimethylanilino)-2-oxoethyl]-1,3-thiazole-4-carboxylic acid
CID 82154948
2-[(2-ethyl-6-methylphenyl)carbamoyl]cyclohexene-1-carboxylic acid
CID 650275
2-[(4-bromo-2-ethylphenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116697325
4-amino-N-(2-ethyl-6-methylphenyl)pyridine-2-carboxamide
CID 62153378
2-[(2,4-dimethylphenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696476
6-N-butan-2-yl-2-N-(2-ethyl-6-methylphenyl)pyridine-2,6-dicarboxamide
CID 109094666
N,N'-bis(2-ethyl-6-methylphenyl)oxamide
CID 3725747

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-6-methylphenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[(2-ethyl-6-methylphenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid (CID 116696510) is 2-[(2-ethyl-6-methylphenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[(2-ethyl-6-methylphenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[(2-ethyl-6-methylphenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid is CCc1cccc(C)c1NC(=O)c1nc(C(=O)O)cs1.
What is the InChIKey of 2-[(2-ethyl-6-methylphenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is XHPMSJVWWJOEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-3-9-6-4-5-8(2)11(9)16-12(17)13-15-10(7-20-13)14(18)19/h4-7H,3H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-[(2-ethyl-6-methylphenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid?
2-[(2-ethyl-6-methylphenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 290.34 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-6-methylphenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 116696510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).