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

C12H16N2O3S — CID 116696629

IUPAC2-[(2-methylcyclohexyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
SMILESCC1CCCCC1NC(=O)c1nc(C(=O)O)cs1
InChIInChI=1S/C12H16N2O3S/c1-7-4-2-3-5-8(7)13-10(15)11-14-9(6-18-11)12(16)17/h6-8H,2-5H2,1H3,(H,13,15)(H,16,17)
InChIKeyDLJLYNZZEXVVLP-UHFFFAOYSA-N
MW268.34 g/mol
LogP2.15
Rot. Bonds3

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

2-[(2-methylcyclohexyl)carbamoyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 116696629) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is 2-[(2-methylcyclohexyl)carbamoyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(2-methylcyclohexyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
PubChem CID116696629
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name2-[(2-methylcyclohexyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
SMILESCC1CCCCC1NC(=O)c1nc(C(=O)O)cs1
InChIInChI=1S/C12H16N2O3S/c1-7-4-2-3-5-8(7)13-10(15)11-14-9(6-18-11)12(16)17/h6-8H,2-5H2,1H3,(H,13,15)(H,16,17)
InChIKeyDLJLYNZZEXVVLP-UHFFFAOYSA-N
XLogP2.15
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-acetamido-N-[(1S,2R)-2-methylcyclohexyl]-1,3-thiazole-4-carboxamide
CID 94164490
2-[(3-ethylcyclohexyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116697211
2-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116697089
6-methyl-N-[(1R,2R)-2-methylcyclohexyl]pyridine-2-carboxamide
CID 31825212
2-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid
CID 107856148
6-methoxy-N-(2-methylcyclohexyl)pyridazine-3-carboxamide
CID 90509274
4-methyl-N-(2-methylcyclopropyl)-1,3-thiazole-2-carboxamide
CID 130611628
1-N,4-N-bis[(1S,2R)-2-methylcyclohexyl]benzene-1,4-dicarboxamide
CID 124805645
2-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116697191
4-amino-N-(2-methylcyclohexyl)pyridine-2-carboxamide
CID 62155915
2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116697239
N-[(1R)-2-methylcyclohexyl]benzamide
CID 137472316

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylcyclohexyl)carbamoyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[(2-methylcyclohexyl)carbamoyl]-1,3-thiazole-4-carboxylic acid (CID 116696629) is 2-[(2-methylcyclohexyl)carbamoyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[(2-methylcyclohexyl)carbamoyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[(2-methylcyclohexyl)carbamoyl]-1,3-thiazole-4-carboxylic acid is CC1CCCCC1NC(=O)c1nc(C(=O)O)cs1.
What is the InChIKey of 2-[(2-methylcyclohexyl)carbamoyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is DLJLYNZZEXVVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-7-4-2-3-5-8(7)13-10(15)11-14-9(6-18-11)12(16)17/h6-8H,2-5H2,1H3,(H,13,15)(H,16,17).
What are the key properties of 2-[(2-methylcyclohexyl)carbamoyl]-1,3-thiazole-4-carboxylic acid?
2-[(2-methylcyclohexyl)carbamoyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 268.34 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylcyclohexyl)carbamoyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 116696629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).