2-acetamido-N-[2-(hydroxymethyl)cyclohexyl]-1,3-thiazole-4-carboxamide

C13H19N3O3S — CID 103798441

IUPAC2-acetamido-N-[2-(hydroxymethyl)cyclohexyl]-1,3-thiazole-4-carboxamide
SMILESCC(=O)Nc1nc(C(=O)NC2CCCCC2CO)cs1
InChIInChI=1S/C13H19N3O3S/c1-8(18)14-13-16-11(7-20-13)12(19)15-10-5-3-2-4-9(10)6-17/h7,9-10,17H,2-6H2,1H3,(H,15,19)(H,14,16,18)
InChIKeyNJGQTYIHXZVDMY-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.38
Rot. Bonds4

About 2-acetamido-N-[2-(hydroxymethyl)cyclohexyl]-1,3-thiazole-4-carboxamide

2-acetamido-N-[2-(hydroxymethyl)cyclohexyl]-1,3-thiazole-4-carboxamide (PubChem CID 103798441) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-acetamido-N-[2-(hydroxymethyl)cyclohexyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-acetamido-N-[2-(hydroxymethyl)cyclohexyl]-1,3-thiazole-4-carboxamide
PubChem CID103798441
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name2-acetamido-N-[2-(hydroxymethyl)cyclohexyl]-1,3-thiazole-4-carboxamide
SMILESCC(=O)Nc1nc(C(=O)NC2CCCCC2CO)cs1
InChIInChI=1S/C13H19N3O3S/c1-8(18)14-13-16-11(7-20-13)12(19)15-10-5-3-2-4-9(10)6-17/h7,9-10,17H,2-6H2,1H3,(H,15,19)(H,14,16,18)
InChIKeyNJGQTYIHXZVDMY-UHFFFAOYSA-N
XLogP1.38
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-acetamido-N-[(1S,2R)-2-methylcyclohexyl]-1,3-thiazole-4-carboxamide
CID 94164490
2-(aminomethyl)-N-[2-(hydroxymethyl)cyclopentyl]-1,3-thiazole-4-carboxamide
CID 103811444
2-[(4-fluorophenyl)methyl]-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]-1,3-thiazole-4-carboxamide
CID 166311557
2-(aminomethyl)-N-(2-ethylcyclohexyl)-1,3-thiazole-4-carboxamide
CID 66376467
2-(aminomethyl)-N-(2-ethylcyclohexyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119732974
2-acetamido-N-(3-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120553729
2-acetamido-N-[(2R)-oxan-2-yl]oxy-1,3-thiazole-4-carboxamide
CID 94824310
N-[2-(hydroxymethyl)cyclohexyl]-2-methyltriazole-4-carboxamide
CID 114284665
2-acetamido-N-cyclobutyl-N-(3-hydroxypropyl)-1,3-thiazole-4-carboxamide
CID 102866785
N-[2-(aminomethyl)cyclohexyl]-2-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 119611593
2-(2-amino-1,3-thiazol-4-yl)-N-[2-(hydroxymethyl)cyclohexyl]acetamide
CID 106361462
2-acetamido-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-1,3-thiazole-4-carboxamide
CID 35262964

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[2-(hydroxymethyl)cyclohexyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-acetamido-N-[2-(hydroxymethyl)cyclohexyl]-1,3-thiazole-4-carboxamide (CID 103798441) is 2-acetamido-N-[2-(hydroxymethyl)cyclohexyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-acetamido-N-[2-(hydroxymethyl)cyclohexyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-acetamido-N-[2-(hydroxymethyl)cyclohexyl]-1,3-thiazole-4-carboxamide is CC(=O)Nc1nc(C(=O)NC2CCCCC2CO)cs1.
What is the InChIKey of 2-acetamido-N-[2-(hydroxymethyl)cyclohexyl]-1,3-thiazole-4-carboxamide?
The InChIKey is NJGQTYIHXZVDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-8(18)14-13-16-11(7-20-13)12(19)15-10-5-3-2-4-9(10)6-17/h7,9-10,17H,2-6H2,1H3,(H,15,19)(H,14,16,18).
What are the key properties of 2-acetamido-N-[2-(hydroxymethyl)cyclohexyl]-1,3-thiazole-4-carboxamide?
2-acetamido-N-[2-(hydroxymethyl)cyclohexyl]-1,3-thiazole-4-carboxamide has a molecular weight of 297.38 g/mol, XLogP of 1.38, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[2-(hydroxymethyl)cyclohexyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 103798441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).