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

C15H11Cl2N5OS — CID 1087088

IUPAC2-[[5-(2,4-dichlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-2-ylacetamide
SMILESO=C(CSc1n[nH]c(-c2ccc(Cl)cc2Cl)n1)Nc1ccccn1
InChIInChI=1S/C15H11Cl2N5OS/c16-9-4-5-10(11(17)7-9)14-20-15(22-21-14)24-8-13(23)19-12-3-1-2-6-18-12/h1-7H,8H2,(H,18,19,23)(H,20,21,22)
InChIKeyYRTXOCLIMBQUBY-UHFFFAOYSA-N
MW380.26 g/mol
LogP3.90
Rot. Bonds5

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

2-[[5-(2,4-dichlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-2-ylacetamide (PubChem CID 1087088) has the molecular formula C15H11Cl2N5OS and a molecular weight of 380.26 g/mol. Its IUPAC name is 2-[[5-(2,4-dichlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-[[5-(2,4-dichlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-2-ylacetamide
PubChem CID1087088
Molecular FormulaC15H11Cl2N5OS
Molecular Weight380.26 g/mol
Exact Mass379.01
IUPAC Name2-[[5-(2,4-dichlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-2-ylacetamide
SMILESO=C(CSc1n[nH]c(-c2ccc(Cl)cc2Cl)n1)Nc1ccccn1
InChIInChI=1S/C15H11Cl2N5OS/c16-9-4-5-10(11(17)7-9)14-20-15(22-21-14)24-8-13(23)19-12-3-1-2-6-18-12/h1-7H,8H2,(H,18,19,23)(H,20,21,22)
InChIKeyYRTXOCLIMBQUBY-UHFFFAOYSA-N
XLogP3.90
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.26
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2,4-dichlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-2-ylacetamide?
The IUPAC name of 2-[[5-(2,4-dichlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-2-ylacetamide (CID 1087088) is 2-[[5-(2,4-dichlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-2-ylacetamide.
What is the SMILES notation for 2-[[5-(2,4-dichlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-2-ylacetamide?
The canonical SMILES for 2-[[5-(2,4-dichlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-2-ylacetamide is O=C(CSc1n[nH]c(-c2ccc(Cl)cc2Cl)n1)Nc1ccccn1.
What is the InChIKey of 2-[[5-(2,4-dichlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-2-ylacetamide?
The InChIKey is YRTXOCLIMBQUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N5OS/c16-9-4-5-10(11(17)7-9)14-20-15(22-21-14)24-8-13(23)19-12-3-1-2-6-18-12/h1-7H,8H2,(H,18,19,23)(H,20,21,22).
What are the key properties of 2-[[5-(2,4-dichlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-2-ylacetamide?
2-[[5-(2,4-dichlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-2-ylacetamide has a molecular weight of 380.26 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2,4-dichlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-2-ylacetamide is sourced from PubChem (CID 1087088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).