2-[(3-ethylcyclohexyl)carbamoyl]-1,3-thiazole-4-carboxylic acid

C13H18N2O3S — CID 116697211

IUPAC2-[(3-ethylcyclohexyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
SMILESCCC1CCCC(NC(=O)c2nc(C(=O)O)cs2)C1
InChIInChI=1S/C13H18N2O3S/c1-2-8-4-3-5-9(6-8)14-11(16)12-15-10(7-19-12)13(17)18/h7-9H,2-6H2,1H3,(H,14,16)(H,17,18)
InChIKeyRZHBFTNVKNVUSP-UHFFFAOYSA-N
MW282.36 g/mol
LogP2.54
Rot. Bonds4

About 2-[(3-ethylcyclohexyl)carbamoyl]-1,3-thiazole-4-carboxylic acid

2-[(3-ethylcyclohexyl)carbamoyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 116697211) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is 2-[(3-ethylcyclohexyl)carbamoyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(3-ethylcyclohexyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
PubChem CID116697211
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Name2-[(3-ethylcyclohexyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
SMILESCCC1CCCC(NC(=O)c2nc(C(=O)O)cs2)C1
InChIInChI=1S/C13H18N2O3S/c1-2-8-4-3-5-9(6-8)14-11(16)12-15-10(7-19-12)13(17)18/h7-9H,2-6H2,1H3,(H,14,16)(H,17,18)
InChIKeyRZHBFTNVKNVUSP-UHFFFAOYSA-N
XLogP2.54
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(3-ethylcyclohexyl)carbamoyl]-1,3-thiazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-ethylcyclohexyl)-1,3-thiazole-4-carboxylic acid
CID 65401658
4-amino-N-(3-ethylcyclohexyl)pyridine-2-carboxamide
CID 64741870
2-[(2-methylcyclohexyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696629
2-(4-ethylazepane-1-carbonyl)-1,3-thiazole-4-carboxylic acid
CID 116697184
5-chloro-N-(3-ethylcyclohexyl)pyrazine-2-carboxamide
CID 107257826
4-N-cyclohexyl-2-N-ethyl-1,3-thiazole-2,4-dicarboxamide
CID 53158336
2-N-cyclopropyl-4-N,4-N-diethyl-1,3-thiazole-2,4-dicarboxamide
CID 53158448
2-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid
CID 107856148
3-amino-N-(3-ethylcyclohexyl)-1H-1,2,4-triazole-5-carboxamide
CID 64748041
4-[(3-ethylcyclohexyl)amino]pyridine-2-carboxylic acid
CID 64749962
2-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116697089
5-cyano-N-(3-ethylcyclohexyl)pyridine-2-carboxamide
CID 64748832

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethylcyclohexyl)carbamoyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[(3-ethylcyclohexyl)carbamoyl]-1,3-thiazole-4-carboxylic acid (CID 116697211) is 2-[(3-ethylcyclohexyl)carbamoyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[(3-ethylcyclohexyl)carbamoyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[(3-ethylcyclohexyl)carbamoyl]-1,3-thiazole-4-carboxylic acid is CCC1CCCC(NC(=O)c2nc(C(=O)O)cs2)C1.
What is the InChIKey of 2-[(3-ethylcyclohexyl)carbamoyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is RZHBFTNVKNVUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-2-8-4-3-5-9(6-8)14-11(16)12-15-10(7-19-12)13(17)18/h7-9H,2-6H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 2-[(3-ethylcyclohexyl)carbamoyl]-1,3-thiazole-4-carboxylic acid?
2-[(3-ethylcyclohexyl)carbamoyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 282.36 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethylcyclohexyl)carbamoyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 116697211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).