N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]-1,2-thiazole-5-carboxamide

C17H20N6OS — CID 71452495

IUPACN-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]-1,2-thiazole-5-carboxamide
SMILESN#CC1(n2cc([C@@H](NC(=O)c3ccns3)C3CCCCC3)nn2)CC1
InChIInChI=1S/C17H20N6OS/c18-11-17(7-8-17)23-10-13(21-22-23)15(12-4-2-1-3-5-12)20-16(24)14-6-9-19-25-14/h6,9-10,12,15H,1-5,7-8H2,(H,20,24)/t15-/m0/s1
InChIKeyGUHUYLYIWTZARZ-HNNXBMFYSA-N
MW356.46 g/mol
LogP2.80
Rot. Bonds5

About N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]-1,2-thiazole-5-carboxamide

N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]-1,2-thiazole-5-carboxamide (PubChem CID 71452495) has the molecular formula C17H20N6OS and a molecular weight of 356.46 g/mol. Its IUPAC name is N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]-1,2-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]-1,2-thiazole-5-carboxamide
PubChem CID71452495
Molecular FormulaC17H20N6OS
Molecular Weight356.46 g/mol
Exact Mass356.14
IUPAC NameN-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]-1,2-thiazole-5-carboxamide
SMILESN#CC1(n2cc([C@@H](NC(=O)c3ccns3)C3CCCCC3)nn2)CC1
InChIInChI=1S/C17H20N6OS/c18-11-17(7-8-17)23-10-13(21-22-23)15(12-4-2-1-3-5-12)20-16(24)14-6-9-19-25-14/h6,9-10,12,15H,1-5,7-8H2,(H,20,24)/t15-/m0/s1
InChIKeyGUHUYLYIWTZARZ-HNNXBMFYSA-N
XLogP2.80
TPSA96.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]-1,2-thiazole-5-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]-1,3-thiazole-2-carboxamide
CID 71463174
N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]pyridine-3-carboxamide
CID 53378704
N-[[1-(1-cyanocyclopropyl)triazol-4-yl]-(oxan-4-yl)methyl]thiophene-3-carboxamide
CID 78072176
(E)-3-[(Z)-but-2-en-2-yl]sulfanyl-N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]prop-2-enamide
CID 53377977
4-[(3S)-3-[1-(1-cyanocyclopropyl)triazol-4-yl]-3-cyclohexylpropanoyl]-N-methylbenzamide
CID 158070578
N-[cyclohexyl-[1-[1-[(methylideneamino)methyl]cyclopropyl]triazol-4-yl]methyl]-1,2-oxazole-5-carboxamide
CID 123205706
1-[4-[(1S,3S)-1-cyclohexyl-4,4,4-trifluoro-3-phenylbutyl]triazol-1-yl]cyclopropane-1-carbonitrile
CID 146876766
(E)-N-[(S)-[1-(4-cyanopiperidin-4-yl)triazol-4-yl]-(4-methylcyclohexyl)methyl]-3-[(Z)-prop-1-enyl]sulfanylprop-2-enamide
CID 53377868
1-acetyl-N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]piperidine-4-carboxamide;1-N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]-1,1-dioxothiolane-3-carboxamide;4-[(3S)-3-[1-(1-cyanocyclopropyl)triazol-4-yl]-3-cyclohexylpropanoyl]benzamide;4-[(3S)-3-[1-(1-cyanocyclopropyl)triazol-4-yl]-3-cyclohexylpropanoyl]-N-methylbenzamide;1-[4-[(1S)-1-cyclohexyl-3-imidazo[2,1-b][1,3]thiazol-6-yl-3-oxopropyl]triazol-1-yl]cyclopropane-1-carbonitrile
CID 159272759
N-[(1S)-1-[1-(1-cyanocyclopropyl)triazol-4-yl]-3-methylsulfanylpropyl]thiophene-3-carboxamide
CID 53378079
N-[(1S)-1-[1-(1-cyanocyclopropyl)triazol-4-yl]-2-ethylbutyl]thiophene-3-carboxamide;N-[(1S)-1-[1-(1-cyanocyclopropyl)triazol-4-yl]-2-methylbutyl]thiophene-3-carboxamide;N-[(R)-[1-(1-cyanocyclopropyl)triazol-4-yl]-[(2S)-oxan-2-yl]methyl]thiophene-3-carboxamide;N-[(R)-[1-(1-cyanocyclopropyl)triazol-4-yl]-[(2R)-oxan-2-yl]methyl]thiophene-3-carboxamide;N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-(1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexyl)methyl]thiophene-3-carboxamide;1-[4-[(1S)-1-cyclopentyl-3-oxo-3-thiophen-3-ylpropyl]triazol-1-yl]cyclopropane-1-carbonitrile;1-[4-[(3S)-4,4-dimethyl-1-oxo-1-thiophen-3-ylpentan-3-yl]triazol-1-yl]cyclopropane-1-carbonitrile
CID 160758586
N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]-4-(dimethylsulfamoyl)benzamide;N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]-4-(methylsulfamoyl)benzamide;N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]-2-(2-oxoimidazolidin-1-yl)acetamide;1-[4-[(1S)-1-(1,1-dioxothian-4-yl)-3-oxo-3-thiophen-3-ylpropyl]triazol-1-yl]cyclopropane-1-carbonitrile;2-[4-[(3S)-5-methylsulfonyl-1-oxo-1-thiophen-3-ylpentan-3-yl]triazol-1-yl]acetonitrile;1-[4-[(1S)-3-oxo-1-(1-oxothian-4-yl)-3-thiophen-3-ylpropyl]triazol-1-yl]cyclopropane-1-carbonitrile
CID 159380501

Frequently Asked Questions

What is the IUPAC name of N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]-1,2-thiazole-5-carboxamide?
The IUPAC name of N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]-1,2-thiazole-5-carboxamide (CID 71452495) is N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]-1,2-thiazole-5-carboxamide.
What is the SMILES notation for N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]-1,2-thiazole-5-carboxamide?
The canonical SMILES for N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]-1,2-thiazole-5-carboxamide is N#CC1(n2cc([C@@H](NC(=O)c3ccns3)C3CCCCC3)nn2)CC1.
What is the InChIKey of N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]-1,2-thiazole-5-carboxamide?
The InChIKey is GUHUYLYIWTZARZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H20N6OS/c18-11-17(7-8-17)23-10-13(21-22-23)15(12-4-2-1-3-5-12)20-16(24)14-6-9-19-25-14/h6,9-10,12,15H,1-5,7-8H2,(H,20,24)/t15-/m0/s1.
What are the key properties of N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]-1,2-thiazole-5-carboxamide?
N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]-1,2-thiazole-5-carboxamide has a molecular weight of 356.46 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]-1,2-thiazole-5-carboxamide is sourced from PubChem (CID 71452495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).