1-cyclohexyl-N-[(2S)-1-thiophen-3-ylpropan-2-yl]triazole-4-carboxamide

C16H22N4OS — CID 95722766

IUPAC1-cyclohexyl-N-[(2S)-1-thiophen-3-ylpropan-2-yl]triazole-4-carboxamide
SMILESC[C@@H](Cc1ccsc1)NC(=O)c1cn(C2CCCCC2)nn1
InChIInChI=1S/C16H22N4OS/c1-12(9-13-7-8-22-11-13)17-16(21)15-10-20(19-18-15)14-5-3-2-4-6-14/h7-8,10-12,14H,2-6,9H2,1H3,(H,17,21)/t12-/m0/s1
InChIKeyXFDPRWMYSFUOEW-LBPRGKRZSA-N
MW318.45 g/mol
LogP3.21
Rot. Bonds5

About 1-cyclohexyl-N-[(2S)-1-thiophen-3-ylpropan-2-yl]triazole-4-carboxamide

1-cyclohexyl-N-[(2S)-1-thiophen-3-ylpropan-2-yl]triazole-4-carboxamide (PubChem CID 95722766) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is 1-cyclohexyl-N-[(2S)-1-thiophen-3-ylpropan-2-yl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-N-[(2S)-1-thiophen-3-ylpropan-2-yl]triazole-4-carboxamide
PubChem CID95722766
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC Name1-cyclohexyl-N-[(2S)-1-thiophen-3-ylpropan-2-yl]triazole-4-carboxamide
SMILESC[C@@H](Cc1ccsc1)NC(=O)c1cn(C2CCCCC2)nn1
InChIInChI=1S/C16H22N4OS/c1-12(9-13-7-8-22-11-13)17-16(21)15-10-20(19-18-15)14-5-3-2-4-6-14/h7-8,10-12,14H,2-6,9H2,1H3,(H,17,21)/t12-/m0/s1
InChIKeyXFDPRWMYSFUOEW-LBPRGKRZSA-N
XLogP3.21
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-bromophenyl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119734871
[(1R)-1-[(1-cyclohexyltriazole-4-carbonyl)amino]-3-methylbutyl]boronic acid
CID 155512795
N-[1-(4-bromophenyl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119734870
1-piperidin-4-yl-N-(1-thiophen-2-ylpropan-2-yl)triazole-4-carboxamide
CID 119722713
1-(4-aminocyclohexyl)-N-[(2R)-2-(hydroxymethyl)-3-thiophen-3-ylpropyl]triazole-4-carboxamide
CID 98350764
1-cyclopentyl-4-oxo-5-(piperidine-1-carbonyl)-N-[(2R)-1-thiophen-3-ylpropan-2-yl]pyridine-3-carboxamide
CID 26322269
1-cyclohexyl-N-[(1S)-1-(4-fluorophenyl)ethyl]triazole-4-carboxamide
CID 25487064
5-N-cycloheptyl-1-cyclopropyl-4-oxo-3-N-(1-thiophen-3-ylpropan-2-yl)pyridine-3,5-dicarboxamide
CID 45203643
N-(1-hydroxypropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63282853
1-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-3-[(2R)-1-thiophen-3-ylpropan-2-yl]urea
CID 98787637
1-[(1R,2R)-2-(hydroxymethyl)cyclohexyl]-3-[(2R)-1-thiophen-3-ylpropan-2-yl]urea
CID 98787638
1-(azetidin-3-yl)-N-(2-thiophen-3-ylethyl)triazole-4-carboxamide
CID 79316779

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[(2S)-1-thiophen-3-ylpropan-2-yl]triazole-4-carboxamide?
The IUPAC name of 1-cyclohexyl-N-[(2S)-1-thiophen-3-ylpropan-2-yl]triazole-4-carboxamide (CID 95722766) is 1-cyclohexyl-N-[(2S)-1-thiophen-3-ylpropan-2-yl]triazole-4-carboxamide.
What is the SMILES notation for 1-cyclohexyl-N-[(2S)-1-thiophen-3-ylpropan-2-yl]triazole-4-carboxamide?
The canonical SMILES for 1-cyclohexyl-N-[(2S)-1-thiophen-3-ylpropan-2-yl]triazole-4-carboxamide is C[C@@H](Cc1ccsc1)NC(=O)c1cn(C2CCCCC2)nn1.
What is the InChIKey of 1-cyclohexyl-N-[(2S)-1-thiophen-3-ylpropan-2-yl]triazole-4-carboxamide?
The InChIKey is XFDPRWMYSFUOEW-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H22N4OS/c1-12(9-13-7-8-22-11-13)17-16(21)15-10-20(19-18-15)14-5-3-2-4-6-14/h7-8,10-12,14H,2-6,9H2,1H3,(H,17,21)/t12-/m0/s1.
What are the key properties of 1-cyclohexyl-N-[(2S)-1-thiophen-3-ylpropan-2-yl]triazole-4-carboxamide?
1-cyclohexyl-N-[(2S)-1-thiophen-3-ylpropan-2-yl]triazole-4-carboxamide has a molecular weight of 318.45 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[(2S)-1-thiophen-3-ylpropan-2-yl]triazole-4-carboxamide is sourced from PubChem (CID 95722766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).