4-cyano-N-cyclohexyl-N-(1,3-thiazol-2-yl)benzamide

C17H17N3OS — CID 2425944

IUPAC4-cyano-N-cyclohexyl-N-(1,3-thiazol-2-yl)benzamide
SMILESN#Cc1ccc(C(=O)N(c2nccs2)C2CCCCC2)cc1
InChIInChI=1S/C17H17N3OS/c18-12-13-6-8-14(9-7-13)16(21)20(17-19-10-11-22-17)15-4-2-1-3-5-15/h6-11,15H,1-5H2
InChIKeyKALGEILSECSGHK-UHFFFAOYSA-N
MW311.41 g/mol
LogP3.99
Rot. Bonds3

About 4-cyano-N-cyclohexyl-N-(1,3-thiazol-2-yl)benzamide

4-cyano-N-cyclohexyl-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 2425944) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is 4-cyano-N-cyclohexyl-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-cyano-N-cyclohexyl-N-(1,3-thiazol-2-yl)benzamide
PubChem CID2425944
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC Name4-cyano-N-cyclohexyl-N-(1,3-thiazol-2-yl)benzamide
SMILESN#Cc1ccc(C(=O)N(c2nccs2)C2CCCCC2)cc1
InChIInChI=1S/C17H17N3OS/c18-12-13-6-8-14(9-7-13)16(21)20(17-19-10-11-22-17)15-4-2-1-3-5-15/h6-11,15H,1-5H2
InChIKeyKALGEILSECSGHK-UHFFFAOYSA-N
XLogP3.99
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[cyclohexyl(1,3-thiazol-2-yl)carbamoyl]cyclopropyl]benzoic acid
CID 67484729
1-(4-cyanophenyl)-1-cyclopentylurea
CID 90850175
1-piperidin-4-yl-1-(1,3-thiazol-2-yl)urea
CID 174458914
2-[4-(2-cyano-3-fluorophenyl)piperazin-1-yl]-N-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide
CID 78870909
N-cyclohexyl-2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(1,3-thiazol-2-yl)propanamide
CID 111750446
[1-[cyclohexyl(1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 2-[cyclohexyl(methyl)carbamoyl]benzoate
CID 24596831
[1-[cyclohexyl(1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 4-chloro-3-methylsulfonylbenzoate
CID 55486499
1-(4-cyanobenzoyl)-3-cyclohexyl-1-(cyclopropylamino)thiourea
CID 57110353
2-(4-cyanophenyl)-N-cyclohexyl-2-oxoacetamide
CID 24853690
N-(azepan-4-yl)-4-cyano-N-(pyridin-2-ylmethyl)benzamide;hydrochloride
CID 129003838
[1-[cyclohexyl(1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 2-methoxypyridine-3-carboxylate
CID 55556532
4-(dimethylsulfamoyl)-N-methyl-N-(1,3-thiazol-2-yl)benzamide
CID 110723354

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-cyclohexyl-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-cyano-N-cyclohexyl-N-(1,3-thiazol-2-yl)benzamide (CID 2425944) is 4-cyano-N-cyclohexyl-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-cyano-N-cyclohexyl-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-cyano-N-cyclohexyl-N-(1,3-thiazol-2-yl)benzamide is N#Cc1ccc(C(=O)N(c2nccs2)C2CCCCC2)cc1.
What is the InChIKey of 4-cyano-N-cyclohexyl-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is KALGEILSECSGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS/c18-12-13-6-8-14(9-7-13)16(21)20(17-19-10-11-22-17)15-4-2-1-3-5-15/h6-11,15H,1-5H2.
What are the key properties of 4-cyano-N-cyclohexyl-N-(1,3-thiazol-2-yl)benzamide?
4-cyano-N-cyclohexyl-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 311.41 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-cyclohexyl-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 2425944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).