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

C22H28N6OS2 — CID 53046656

IUPAC2-[[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopentylacetamide
SMILESNc1c(-c2nnc(SCC(=O)NC3CCCC3)n2C2CCCCC2)sc2ncccc12
InChIInChI=1S/C22H28N6OS2/c23-18-16-11-6-12-24-21(16)31-19(18)20-26-27-22(28(20)15-9-2-1-3-10-15)30-13-17(29)25-14-7-4-5-8-14/h6,11-12,14-15H,1-5,7-10,13,23H2,(H,25,29)
InChIKeyGLCOGYAFGVJEFI-UHFFFAOYSA-N
MW456.64 g/mol
LogP4.79
Rot. Bonds6

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

2-[[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopentylacetamide (PubChem CID 53046656) has the molecular formula C22H28N6OS2 and a molecular weight of 456.64 g/mol. Its IUPAC name is 2-[[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-[[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopentylacetamide
PubChem CID53046656
Molecular FormulaC22H28N6OS2
Molecular Weight456.64 g/mol
Exact Mass456.18
IUPAC Name2-[[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopentylacetamide
SMILESNc1c(-c2nnc(SCC(=O)NC3CCCC3)n2C2CCCCC2)sc2ncccc12
InChIInChI=1S/C22H28N6OS2/c23-18-16-11-6-12-24-21(16)31-19(18)20-26-27-22(28(20)15-9-2-1-3-10-15)30-13-17(29)25-14-7-4-5-8-14/h6,11-12,14-15H,1-5,7-10,13,23H2,(H,25,29)
InChIKeyGLCOGYAFGVJEFI-UHFFFAOYSA-N
XLogP4.79
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.64
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopentylacetamide with MolForge

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Related Compounds

2-[[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopentylacetamide
CID 53046709
2-[[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexylacetamide
CID 53046827
2-[[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 95060689
2-[[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3,4-dichlorophenyl)acetamide
CID 53046700
N-cyclopentyl-2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 8916350
2-[[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
CID 52991739
N-cycloheptyl-2-[[4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 7299148
2-[[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-(2,3-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide
CID 53046684
2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexylacetamide
CID 9408204
2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-cyclopentylacetamide
CID 3214157
2-[[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-[[(2R)-oxolan-2-yl]methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(3,5-dimethylphenyl)acetamide
CID 95049937
2-[[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3,5-dimethylphenyl)acetamide
CID 52991835

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopentylacetamide?
The IUPAC name of 2-[[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopentylacetamide (CID 53046656) is 2-[[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopentylacetamide.
What is the SMILES notation for 2-[[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopentylacetamide?
The canonical SMILES for 2-[[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopentylacetamide is Nc1c(-c2nnc(SCC(=O)NC3CCCC3)n2C2CCCCC2)sc2ncccc12.
What is the InChIKey of 2-[[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopentylacetamide?
The InChIKey is GLCOGYAFGVJEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6OS2/c23-18-16-11-6-12-24-21(16)31-19(18)20-26-27-22(28(20)15-9-2-1-3-10-15)30-13-17(29)25-14-7-4-5-8-14/h6,11-12,14-15H,1-5,7-10,13,23H2,(H,25,29).
What are the key properties of 2-[[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopentylacetamide?
2-[[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopentylacetamide has a molecular weight of 456.64 g/mol, XLogP of 4.79, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopentylacetamide is sourced from PubChem (CID 53046656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).