4-N-cyclohexyl-2-N-ethyl-1,3-thiazole-2,4-dicarboxamide

C13H19N3O2S — CID 53158336

IUPAC4-N-cyclohexyl-2-N-ethyl-1,3-thiazole-2,4-dicarboxamide
SMILESCCNC(=O)c1nc(C(=O)NC2CCCCC2)cs1
InChIInChI=1S/C13H19N3O2S/c1-2-14-12(18)13-16-10(8-19-13)11(17)15-9-6-4-3-5-7-9/h8-9H,2-7H2,1H3,(H,14,18)(H,15,17)
InChIKeyWLSZFMRQGKVHNF-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.96
Rot. Bonds4

About 4-N-cyclohexyl-2-N-ethyl-1,3-thiazole-2,4-dicarboxamide

4-N-cyclohexyl-2-N-ethyl-1,3-thiazole-2,4-dicarboxamide (PubChem CID 53158336) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is 4-N-cyclohexyl-2-N-ethyl-1,3-thiazole-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-cyclohexyl-2-N-ethyl-1,3-thiazole-2,4-dicarboxamide
PubChem CID53158336
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name4-N-cyclohexyl-2-N-ethyl-1,3-thiazole-2,4-dicarboxamide
SMILESCCNC(=O)c1nc(C(=O)NC2CCCCC2)cs1
InChIInChI=1S/C13H19N3O2S/c1-2-14-12(18)13-16-10(8-19-13)11(17)15-9-6-4-3-5-7-9/h8-9H,2-7H2,1H3,(H,14,18)(H,15,17)
InChIKeyWLSZFMRQGKVHNF-UHFFFAOYSA-N
XLogP1.96
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-cyclopropyl-4-N-(2-methylpropyl)-1,3-thiazole-2,4-dicarboxamide
CID 53158467
2-N-cyclopropyl-4-N,4-N-diethyl-1,3-thiazole-2,4-dicarboxamide
CID 53158448
2-amino-N-cyclooctyl-1,3-thiazole-4-carboxamide
CID 55116012
ethyl 4-[(4-ethylcyclohexyl)carbamoyl]-1,3-thiazole-2-carboxylate
CID 116697832
2-[(3-ethylcyclohexyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116697211
2-(1-amino-3-methylbutyl)-N-cycloheptyl-1,3-thiazole-4-carboxamide
CID 3849663
2-N-cyclopentyl-4-N-[(1R)-1-(4-fluorophenyl)ethyl]-1,3-thiazole-2,4-dicarboxamide
CID 95099206
N-cyclooctyl-2-pyrrolidin-2-yl-1,3-thiazole-4-carboxamide
CID 3698377
4-[(1-oxothian-4-yl)carbamoyl]-1,3-thiazole-2-carboxylic acid
CID 104893066
ethyl 4-(cyclopent-3-en-1-ylcarbamoyl)-1,3-thiazole-2-carboxylate
CID 116698257
2-N-cyclopropyl-4-N-[(3-methylphenyl)methyl]-1,3-thiazole-2,4-dicarboxamide
CID 53158485
N-cyclohexyl-4-(ethylamino)pyridine-2-carboxamide
CID 62171612

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclohexyl-2-N-ethyl-1,3-thiazole-2,4-dicarboxamide?
The IUPAC name of 4-N-cyclohexyl-2-N-ethyl-1,3-thiazole-2,4-dicarboxamide (CID 53158336) is 4-N-cyclohexyl-2-N-ethyl-1,3-thiazole-2,4-dicarboxamide.
What is the SMILES notation for 4-N-cyclohexyl-2-N-ethyl-1,3-thiazole-2,4-dicarboxamide?
The canonical SMILES for 4-N-cyclohexyl-2-N-ethyl-1,3-thiazole-2,4-dicarboxamide is CCNC(=O)c1nc(C(=O)NC2CCCCC2)cs1.
What is the InChIKey of 4-N-cyclohexyl-2-N-ethyl-1,3-thiazole-2,4-dicarboxamide?
The InChIKey is WLSZFMRQGKVHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-2-14-12(18)13-16-10(8-19-13)11(17)15-9-6-4-3-5-7-9/h8-9H,2-7H2,1H3,(H,14,18)(H,15,17).
What are the key properties of 4-N-cyclohexyl-2-N-ethyl-1,3-thiazole-2,4-dicarboxamide?
4-N-cyclohexyl-2-N-ethyl-1,3-thiazole-2,4-dicarboxamide has a molecular weight of 281.38 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclohexyl-2-N-ethyl-1,3-thiazole-2,4-dicarboxamide is sourced from PubChem (CID 53158336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).