Skip to content

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

C17H23N3OS — CID 158612173

Data last refreshed: (MolForge compound catalog, from PubChem)

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.