N-(1-cyanocyclohexyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide

C18H25N5OS — CID 9027798

IUPACN-(1-cyanocyclohexyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide
SMILESCN(C(=O)CSc1nnc(C2CC2)n1C1CC1)C1(C#N)CCCCC1
InChIInChI=1S/C18H25N5OS/c1-22(18(12-19)9-3-2-4-10-18)15(24)11-25-17-21-20-16(13-5-6-13)23(17)14-7-8-14/h13-14H,2-11H2,1H3
InChIKeyQXNKENKZSVDICB-UHFFFAOYSA-N
MW359.50 g/mol
LogP3.27
Rot. Bonds6

About N-(1-cyanocyclohexyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide

N-(1-cyanocyclohexyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide (PubChem CID 9027798) has the molecular formula C18H25N5OS and a molecular weight of 359.50 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide
PubChem CID9027798
Molecular FormulaC18H25N5OS
Molecular Weight359.50 g/mol
Exact Mass359.18
IUPAC NameN-(1-cyanocyclohexyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide
SMILESCN(C(=O)CSc1nnc(C2CC2)n1C1CC1)C1(C#N)CCCCC1
InChIInChI=1S/C18H25N5OS/c1-22(18(12-19)9-3-2-4-10-18)15(24)11-25-17-21-20-16(13-5-6-13)23(17)14-7-8-14/h13-14H,2-11H2,1H3
InChIKeyQXNKENKZSVDICB-UHFFFAOYSA-N
XLogP3.27
TPSA74.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-(1-cyanocyclohexyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide 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-cyclohexyl-2-[(5-cyclopropyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 6468708
N-(1-cyanocyclohexyl)-N-methyl-2-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl}acetamide
CID 7877615
N-(1-cyanocyclohexyl)-2-[(4,5-dicyclopropyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7665911
N-(1-cyanocyclohexyl)-2-[(4,5-dicyclopropyl-4H-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 16294323
N-(1-cyano-4-methylcyclohexyl)-2-[(4,5-dicyclopropyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide
CID 9267199
N-(1-cyanocyclohexyl)-2-[(4,5-dicyclopropyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-methylpropanamide
CID 16313258
N,N-dicyclohexyl-2-[(4-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 1457152
N-(1-cyanocyclohexyl)-N-methyl-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 8306488
2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 42980928
5-cyclohexyl-4-ethyl-4H-1,2,4-triazol-3-yl 2-oxo-2-(1-piperidinyl)ethyl sulfide
CID 863610
N-tert-butyl-2-[(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 955333
5-cyclohexyl-4-methyl-4H-1,2,4-triazol-3-yl 2-oxo-2-(1-piperidinyl)ethyl sulfide
CID 863611

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide?
The IUPAC name of N-(1-cyanocyclohexyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide (CID 9027798) is N-(1-cyanocyclohexyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide is CN(C(=O)CSc1nnc(C2CC2)n1C1CC1)C1(C#N)CCCCC1.
What is the InChIKey of N-(1-cyanocyclohexyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide?
The InChIKey is QXNKENKZSVDICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5OS/c1-22(18(12-19)9-3-2-4-10-18)15(24)11-25-17-21-20-16(13-5-6-13)23(17)14-7-8-14/h13-14H,2-11H2,1H3.
What are the key properties of N-(1-cyanocyclohexyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide?
N-(1-cyanocyclohexyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide has a molecular weight of 359.50 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide is sourced from PubChem (CID 9027798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).