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

C15H12ClN5OS — CID 856234

IUPACN-(3-chlorophenyl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESO=C(CSc1n[nH]c(-c2cccnc2)n1)Nc1cccc(Cl)c1
InChIInChI=1S/C15H12ClN5OS/c16-11-4-1-5-12(7-11)18-13(22)9-23-15-19-14(20-21-15)10-3-2-6-17-8-10/h1-8H,9H2,(H,18,22)(H,19,20,21)
InChIKeyWTHWBHBQQJLTEB-UHFFFAOYSA-N
MW345.82 g/mol
LogP3.25
Rot. Bonds5

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

N-(3-chlorophenyl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 856234) has the molecular formula C15H12ClN5OS and a molecular weight of 345.82 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID856234
Molecular FormulaC15H12ClN5OS
Molecular Weight345.82 g/mol
Exact Mass345.05
IUPAC NameN-(3-chlorophenyl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESO=C(CSc1n[nH]c(-c2cccnc2)n1)Nc1cccc(Cl)c1
InChIInChI=1S/C15H12ClN5OS/c16-11-4-1-5-12(7-11)18-13(22)9-23-15-19-14(20-21-15)10-3-2-6-17-8-10/h1-8H,9H2,(H,18,22)(H,19,20,21)
InChIKeyWTHWBHBQQJLTEB-UHFFFAOYSA-N
XLogP3.25
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.82
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 856234) is N-(3-chlorophenyl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide is O=C(CSc1n[nH]c(-c2cccnc2)n1)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is WTHWBHBQQJLTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN5OS/c16-11-4-1-5-12(7-11)18-13(22)9-23-15-19-14(20-21-15)10-3-2-6-17-8-10/h1-8H,9H2,(H,18,22)(H,19,20,21).
What are the key properties of N-(3-chlorophenyl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-(3-chlorophenyl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 345.82 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 856234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).