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

C20H16N6OS — CID 661656

IUPAC2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-pyridin-2-ylacetamide
SMILESO=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)Nc1ccccn1
InChIInChI=1S/C20H16N6OS/c27-18(23-17-10-4-5-12-22-17)14-28-20-25-24-19(15-7-6-11-21-13-15)26(20)16-8-2-1-3-9-16/h1-13H,14H2,(H,22,23,27)
InChIKeyFVODTDVWMUGIIZ-UHFFFAOYSA-N
MW388.46 g/mol
LogP3.46
Rot. Bonds6

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

2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-pyridin-2-ylacetamide (PubChem CID 661656) has the molecular formula C20H16N6OS and a molecular weight of 388.46 g/mol. Its IUPAC name is 2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-pyridin-2-ylacetamide
PubChem CID661656
Molecular FormulaC20H16N6OS
Molecular Weight388.46 g/mol
Exact Mass388.11
IUPAC Name2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-pyridin-2-ylacetamide
SMILESO=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)Nc1ccccn1
InChIInChI=1S/C20H16N6OS/c27-18(23-17-10-4-5-12-22-17)14-28-20-25-24-19(15-7-6-11-21-13-15)26(20)16-8-2-1-3-9-16/h1-13H,14H2,(H,22,23,27)
InChIKeyFVODTDVWMUGIIZ-UHFFFAOYSA-N
XLogP3.46
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-pyridin-2-ylacetamide?
The IUPAC name of 2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-pyridin-2-ylacetamide (CID 661656) is 2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-pyridin-2-ylacetamide.
What is the SMILES notation for 2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-pyridin-2-ylacetamide?
The canonical SMILES for 2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-pyridin-2-ylacetamide is O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)Nc1ccccn1.
What is the InChIKey of 2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-pyridin-2-ylacetamide?
The InChIKey is FVODTDVWMUGIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6OS/c27-18(23-17-10-4-5-12-22-17)14-28-20-25-24-19(15-7-6-11-21-13-15)26(20)16-8-2-1-3-9-16/h1-13H,14H2,(H,22,23,27).
What are the key properties of 2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-pyridin-2-ylacetamide?
2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-pyridin-2-ylacetamide has a molecular weight of 388.46 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-pyridin-2-ylacetamide is sourced from PubChem (CID 661656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).