2-[(4-cyclohexyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclopentylacetamide

C20H27N5OS — CID 653543

IUPAC2-[(4-cyclohexyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclopentylacetamide
SMILESO=C(CSc1nnc(-c2cccnc2)n1C1CCCCC1)NC1CCCC1
InChIInChI=1S/C20H27N5OS/c26-18(22-16-8-4-5-9-16)14-27-20-24-23-19(15-7-6-12-21-13-15)25(20)17-10-2-1-3-11-17/h6-7,12-13,16-17H,1-5,8-11,14H2,(H,22,26)
InChIKeyKIPDABYWZGLXFX-UHFFFAOYSA-N
MW385.54 g/mol
LogP4.00
Rot. Bonds6

About 2-[(4-cyclohexyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclopentylacetamide

2-[(4-cyclohexyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclopentylacetamide (PubChem CID 653543) has the molecular formula C20H27N5OS and a molecular weight of 385.54 g/mol. Its IUPAC name is 2-[(4-cyclohexyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-[(4-cyclohexyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclopentylacetamide
PubChem CID653543
Molecular FormulaC20H27N5OS
Molecular Weight385.54 g/mol
Exact Mass385.19
IUPAC Name2-[(4-cyclohexyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclopentylacetamide
SMILESO=C(CSc1nnc(-c2cccnc2)n1C1CCCCC1)NC1CCCC1
InChIInChI=1S/C20H27N5OS/c26-18(22-16-8-4-5-9-16)14-27-20-24-23-19(15-7-6-12-21-13-15)25(20)17-10-2-1-3-11-17/h6-7,12-13,16-17H,1-5,8-11,14H2,(H,22,26)
InChIKeyKIPDABYWZGLXFX-UHFFFAOYSA-N
XLogP4.00
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.54
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(4-cyclohexyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclopentylacetamide 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 2-[(4-cyclohexyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclopentylacetamide?
The IUPAC name of 2-[(4-cyclohexyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclopentylacetamide (CID 653543) is 2-[(4-cyclohexyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclopentylacetamide.
What is the SMILES notation for 2-[(4-cyclohexyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclopentylacetamide?
The canonical SMILES for 2-[(4-cyclohexyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclopentylacetamide is O=C(CSc1nnc(-c2cccnc2)n1C1CCCCC1)NC1CCCC1.
What is the InChIKey of 2-[(4-cyclohexyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclopentylacetamide?
The InChIKey is KIPDABYWZGLXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5OS/c26-18(22-16-8-4-5-9-16)14-27-20-24-23-19(15-7-6-12-21-13-15)25(20)17-10-2-1-3-11-17/h6-7,12-13,16-17H,1-5,8-11,14H2,(H,22,26).
What are the key properties of 2-[(4-cyclohexyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclopentylacetamide?
2-[(4-cyclohexyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclopentylacetamide has a molecular weight of 385.54 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyclohexyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclopentylacetamide is sourced from PubChem (CID 653543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).