N-[(R)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]-1,3-thiazole-5-carboxamide

C17H20N6OS — CID 53378818

IUPACN-[(R)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]-1,3-thiazole-5-carboxamide
SMILESN#CC1(n2cc([C@H](NC(=O)c3cncs3)C3CCCCC3)nn2)CC1
InChIInChI=1S/C17H20N6OS/c18-10-17(6-7-17)23-9-13(21-22-23)15(12-4-2-1-3-5-12)20-16(24)14-8-19-11-25-14/h8-9,11-12,15H,1-7H2,(H,20,24)/t15-/m1/s1
InChIKeyNHDNWUDCYIJXJP-OAHLLOKOSA-N
MW356.46 g/mol
LogP2.80
Rot. Bonds5

About N-[(R)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]-1,3-thiazole-5-carboxamide

N-[(R)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]-1,3-thiazole-5-carboxamide (PubChem CID 53378818) has the molecular formula C17H20N6OS and a molecular weight of 356.46 g/mol. Its IUPAC name is N-[(R)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(R)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]-1,3-thiazole-5-carboxamide
PubChem CID53378818
Molecular FormulaC17H20N6OS
Molecular Weight356.46 g/mol
Exact Mass356.14
IUPAC NameN-[(R)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]-1,3-thiazole-5-carboxamide
SMILESN#CC1(n2cc([C@H](NC(=O)c3cncs3)C3CCCCC3)nn2)CC1
InChIInChI=1S/C17H20N6OS/c18-10-17(6-7-17)23-9-13(21-22-23)15(12-4-2-1-3-5-12)20-16(24)14-8-19-11-25-14/h8-9,11-12,15H,1-7H2,(H,20,24)/t15-/m1/s1
InChIKeyNHDNWUDCYIJXJP-OAHLLOKOSA-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-[(R)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]-1,3-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

Frequently Asked Questions

What is the IUPAC name of N-[(R)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(R)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]-1,3-thiazole-5-carboxamide (CID 53378818) is N-[(R)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(R)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(R)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]-1,3-thiazole-5-carboxamide is N#CC1(n2cc([C@H](NC(=O)c3cncs3)C3CCCCC3)nn2)CC1.
What is the InChIKey of N-[(R)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is NHDNWUDCYIJXJP-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H20N6OS/c18-10-17(6-7-17)23-9-13(21-22-23)15(12-4-2-1-3-5-12)20-16(24)14-8-19-11-25-14/h8-9,11-12,15H,1-7H2,(H,20,24)/t15-/m1/s1.
What are the key properties of N-[(R)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]-1,3-thiazole-5-carboxamide?
N-[(R)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]-1,3-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-[(R)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 53378818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).