cis-(1R,2S)-2-(cyanomethyl)-N-(5-cyclohexyl-1,3-thiazol-2-yl)cyclopentane-1-carboxamide

C17H23N3OS — CID 158612173

IUPACcis-(1R,2S)-2-(cyanomethyl)-N-(5-cyclohexyl-1,3-thiazol-2-yl)cyclopentane-1-carboxamide
SMILESN#CC[C@@H]1CCC[C@H]1C(=O)Nc1ncc(C2CCCCC2)s1
InChIInChI=1S/C17H23N3OS/c18-10-9-12-7-4-8-14(12)16(21)20-17-19-11-15(22-17)13-5-2-1-3-6-13/h11-14H,1-9H2,(H,19,20,21)/t12-,14+/m0/s1
InChIKeyHWYVHFMDEKWGLO-GXTWGEPZSA-N
MW317.46 g/mol
LogP4.46
Rot. Bonds4

About cis-(1R,2S)-2-(cyanomethyl)-N-(5-cyclohexyl-1,3-thiazol-2-yl)cyclopentane-1-carboxamide

cis-(1R,2S)-2-(cyanomethyl)-N-(5-cyclohexyl-1,3-thiazol-2-yl)cyclopentane-1-carboxamide (PubChem CID 158612173) has the molecular formula C17H23N3OS and a molecular weight of 317.46 g/mol. Its IUPAC name is cis-(1R,2S)-2-(cyanomethyl)-N-(5-cyclohexyl-1,3-thiazol-2-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-(cyanomethyl)-N-(5-cyclohexyl-1,3-thiazol-2-yl)cyclopentane-1-carboxamide
PubChem CID158612173
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC Namecis-(1R,2S)-2-(cyanomethyl)-N-(5-cyclohexyl-1,3-thiazol-2-yl)cyclopentane-1-carboxamide
SMILESN#CC[C@@H]1CCC[C@H]1C(=O)Nc1ncc(C2CCCCC2)s1
InChIInChI=1S/C17H23N3OS/c18-10-9-12-7-4-8-14(12)16(21)20-17-19-11-15(22-17)13-5-2-1-3-6-13/h11-14H,1-9H2,(H,19,20,21)/t12-,14+/m0/s1
InChIKeyHWYVHFMDEKWGLO-GXTWGEPZSA-N
XLogP4.46
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze cis-(1R,2S)-2-(cyanomethyl)-N-(5-cyclohexyl-1,3-thiazol-2-yl)cyclopentane-1-carboxamide with MolForge

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Related Compounds

trans-(1S,2S)-2-(cyanomethyl)-N-(5-cyclohexyl-1,3-thiazol-2-yl)cyclopentane-1-carboxamide
CID 158612174
2-(cyanoamino)-N-(5-cyclohexyl-1,3-thiazol-2-yl)cyclopentane-1-carboxamide
CID 138530017
(1R)-2-(cyanoamino)-N-(5-cyclohexyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
CID 138529996
3-(cyanomethyl)-N-(5-cyclohexyl-1,3-thiazol-2-yl)-1-methylcyclobutane-1-carboxamide
CID 159222013
4-amino-N-(5-cyclohexyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide
CID 138524929
N-(5-cyclohexyl-1,3-thiazol-2-yl)-3-(methylamino)cyclobutane-1-carboxamide
CID 155186238
N-(5-cyclohexyl-1,3-thiazol-2-yl)-2-pyridin-3-ylacetamide
CID 126803646
N-(5-cyano-1,3-thiazol-2-yl)cyclohexanecarboxamide
CID 90603537
5-cyclobutyl-N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 116812328
2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 2969362
N-[5-[(1S)-2-methylcyclohexyl]-1,3-thiazol-2-yl]cyclobutanecarboxamide
CID 155186410
2-[[4-[2-[(5-cyclohexyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]sulfanyl]propanamide
CID 166357103

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-(cyanomethyl)-N-(5-cyclohexyl-1,3-thiazol-2-yl)cyclopentane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-2-(cyanomethyl)-N-(5-cyclohexyl-1,3-thiazol-2-yl)cyclopentane-1-carboxamide (CID 158612173) is cis-(1R,2S)-2-(cyanomethyl)-N-(5-cyclohexyl-1,3-thiazol-2-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-2-(cyanomethyl)-N-(5-cyclohexyl-1,3-thiazol-2-yl)cyclopentane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-2-(cyanomethyl)-N-(5-cyclohexyl-1,3-thiazol-2-yl)cyclopentane-1-carboxamide is N#CC[C@@H]1CCC[C@H]1C(=O)Nc1ncc(C2CCCCC2)s1.
What is the InChIKey of cis-(1R,2S)-2-(cyanomethyl)-N-(5-cyclohexyl-1,3-thiazol-2-yl)cyclopentane-1-carboxamide?
The InChIKey is HWYVHFMDEKWGLO-GXTWGEPZSA-N. The full InChI is InChI=1S/C17H23N3OS/c18-10-9-12-7-4-8-14(12)16(21)20-17-19-11-15(22-17)13-5-2-1-3-6-13/h11-14H,1-9H2,(H,19,20,21)/t12-,14+/m0/s1.
What are the key properties of cis-(1R,2S)-2-(cyanomethyl)-N-(5-cyclohexyl-1,3-thiazol-2-yl)cyclopentane-1-carboxamide?
cis-(1R,2S)-2-(cyanomethyl)-N-(5-cyclohexyl-1,3-thiazol-2-yl)cyclopentane-1-carboxamide has a molecular weight of 317.46 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-(cyanomethyl)-N-(5-cyclohexyl-1,3-thiazol-2-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 158612173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).