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

C16H15N5O2S — CID 866190

IUPACN-(2-methoxyphenyl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCOc1ccccc1NC(=O)CSc1n[nH]c(-c2cccnc2)n1
InChIInChI=1S/C16H15N5O2S/c1-23-13-7-3-2-6-12(13)18-14(22)10-24-16-19-15(20-21-16)11-5-4-8-17-9-11/h2-9H,10H2,1H3,(H,18,22)(H,19,20,21)
InChIKeyHCCPEBRLIJINSI-UHFFFAOYSA-N
MW341.40 g/mol
LogP2.61
Rot. Bonds6

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

N-(2-methoxyphenyl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 866190) has the molecular formula C16H15N5O2S and a molecular weight of 341.40 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID866190
Molecular FormulaC16H15N5O2S
Molecular Weight341.40 g/mol
Exact Mass341.09
IUPAC NameN-(2-methoxyphenyl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCOc1ccccc1NC(=O)CSc1n[nH]c(-c2cccnc2)n1
InChIInChI=1S/C16H15N5O2S/c1-23-13-7-3-2-6-12(13)18-14(22)10-24-16-19-15(20-21-16)11-5-4-8-17-9-11/h2-9H,10H2,1H3,(H,18,22)(H,19,20,21)
InChIKeyHCCPEBRLIJINSI-UHFFFAOYSA-N
XLogP2.61
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(2-methoxyphenyl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide 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 N-(2-methoxyphenyl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(2-methoxyphenyl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 866190) is N-(2-methoxyphenyl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide is COc1ccccc1NC(=O)CSc1n[nH]c(-c2cccnc2)n1.
What is the InChIKey of N-(2-methoxyphenyl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is HCCPEBRLIJINSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2S/c1-23-13-7-3-2-6-12(13)18-14(22)10-24-16-19-15(20-21-16)11-5-4-8-17-9-11/h2-9H,10H2,1H3,(H,18,22)(H,19,20,21).
What are the key properties of N-(2-methoxyphenyl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-(2-methoxyphenyl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 341.40 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 866190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).