2-[1-(4-methylphenyl)ethylcarbamoyl]-1,3-thiazole-4-carboxylic acid

C14H14N2O3S — CID 116696883

IUPAC2-[1-(4-methylphenyl)ethylcarbamoyl]-1,3-thiazole-4-carboxylic acid
SMILESCc1ccc(C(C)NC(=O)c2nc(C(=O)O)cs2)cc1
InChIInChI=1S/C14H14N2O3S/c1-8-3-5-10(6-4-8)9(2)15-12(17)13-16-11(7-20-13)14(18)19/h3-7,9H,1-2H3,(H,15,17)(H,18,19)
InChIKeyGHTHZSZHYLMDEA-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.64
Rot. Bonds4

About 2-[1-(4-methylphenyl)ethylcarbamoyl]-1,3-thiazole-4-carboxylic acid

2-[1-(4-methylphenyl)ethylcarbamoyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 116696883) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is 2-[1-(4-methylphenyl)ethylcarbamoyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[1-(4-methylphenyl)ethylcarbamoyl]-1,3-thiazole-4-carboxylic acid
PubChem CID116696883
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name2-[1-(4-methylphenyl)ethylcarbamoyl]-1,3-thiazole-4-carboxylic acid
SMILESCc1ccc(C(C)NC(=O)c2nc(C(=O)O)cs2)cc1
InChIInChI=1S/C14H14N2O3S/c1-8-3-5-10(6-4-8)9(2)15-12(17)13-16-11(7-20-13)14(18)19/h3-7,9H,1-2H3,(H,15,17)(H,18,19)
InChIKeyGHTHZSZHYLMDEA-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2,4-dichlorophenyl)ethylcarbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696610
2-N-ethyl-4-N-[(1R)-1-phenylethyl]-1,3-thiazole-2,4-dicarboxamide
CID 95099186
2-(2-aminoethyl)-N-[(1S)-1-(4-methylphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81356924
2-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116697408
2-N-ethyl-4-N-[1-(4-fluorophenyl)ethyl]-1,3-thiazole-2,4-dicarboxamide
CID 53158357
2-[(2,4-dimethylphenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696476
2-[(5-methyl-2-pyridinyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696469
4-amino-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide
CID 55041957
2-N-cyclopentyl-4-N-[(1R)-1-(4-fluorophenyl)ethyl]-1,3-thiazole-2,4-dicarboxamide
CID 95099206
2-[1-[(2-fluoro-5-methylbenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66381371
2-amino-N-[1-(4-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 55116256
2-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81360148

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methylphenyl)ethylcarbamoyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[1-(4-methylphenyl)ethylcarbamoyl]-1,3-thiazole-4-carboxylic acid (CID 116696883) is 2-[1-(4-methylphenyl)ethylcarbamoyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[1-(4-methylphenyl)ethylcarbamoyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[1-(4-methylphenyl)ethylcarbamoyl]-1,3-thiazole-4-carboxylic acid is Cc1ccc(C(C)NC(=O)c2nc(C(=O)O)cs2)cc1.
What is the InChIKey of 2-[1-(4-methylphenyl)ethylcarbamoyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is GHTHZSZHYLMDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-8-3-5-10(6-4-8)9(2)15-12(17)13-16-11(7-20-13)14(18)19/h3-7,9H,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 2-[1-(4-methylphenyl)ethylcarbamoyl]-1,3-thiazole-4-carboxylic acid?
2-[1-(4-methylphenyl)ethylcarbamoyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 290.34 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methylphenyl)ethylcarbamoyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 116696883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).