2-phenyl-2-[[5-[(E)-2-thiophen-2-ylethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide

C16H14N4OS2 — CID 17461931

IUPAC2-phenyl-2-[[5-[(E)-2-thiophen-2-ylethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESNC(=O)C(Sc1n[nH]c(/C=C/c2cccs2)n1)c1ccccc1
InChIInChI=1S/C16H14N4OS2/c17-15(21)14(11-5-2-1-3-6-11)23-16-18-13(19-20-16)9-8-12-7-4-10-22-12/h1-10,14H,(H2,17,21)(H,18,19,20)/b9-8+
InChIKeyPLHOEDHADFXPMB-CMDGGOBGSA-N
MW342.45 g/mol
LogP3.36
Rot. Bonds6

About 2-phenyl-2-[[5-[(E)-2-thiophen-2-ylethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide

2-phenyl-2-[[5-[(E)-2-thiophen-2-ylethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide (PubChem CID 17461931) has the molecular formula C16H14N4OS2 and a molecular weight of 342.45 g/mol. Its IUPAC name is 2-phenyl-2-[[5-[(E)-2-thiophen-2-ylethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide.

Molecular Properties

Compound Name2-phenyl-2-[[5-[(E)-2-thiophen-2-ylethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
PubChem CID17461931
Molecular FormulaC16H14N4OS2
Molecular Weight342.45 g/mol
Exact Mass342.06
IUPAC Name2-phenyl-2-[[5-[(E)-2-thiophen-2-ylethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESNC(=O)C(Sc1n[nH]c(/C=C/c2cccs2)n1)c1ccccc1
InChIInChI=1S/C16H14N4OS2/c17-15(21)14(11-5-2-1-3-6-11)23-16-18-13(19-20-16)9-8-12-7-4-10-22-12/h1-10,14H,(H2,17,21)(H,18,19,20)/b9-8+
InChIKeyPLHOEDHADFXPMB-CMDGGOBGSA-N
XLogP3.36
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-phenyl-2-[[5-[(E)-2-thiophen-2-ylethenyl]-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 2-phenyl-2-[[5-[(E)-2-thiophen-2-ylethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The IUPAC name of 2-phenyl-2-[[5-[(E)-2-thiophen-2-ylethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide (CID 17461931) is 2-phenyl-2-[[5-[(E)-2-thiophen-2-ylethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide.
What is the SMILES notation for 2-phenyl-2-[[5-[(E)-2-thiophen-2-ylethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The canonical SMILES for 2-phenyl-2-[[5-[(E)-2-thiophen-2-ylethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide is NC(=O)C(Sc1n[nH]c(/C=C/c2cccs2)n1)c1ccccc1.
What is the InChIKey of 2-phenyl-2-[[5-[(E)-2-thiophen-2-ylethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The InChIKey is PLHOEDHADFXPMB-CMDGGOBGSA-N. The full InChI is InChI=1S/C16H14N4OS2/c17-15(21)14(11-5-2-1-3-6-11)23-16-18-13(19-20-16)9-8-12-7-4-10-22-12/h1-10,14H,(H2,17,21)(H,18,19,20)/b9-8+.
What are the key properties of 2-phenyl-2-[[5-[(E)-2-thiophen-2-ylethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide?
2-phenyl-2-[[5-[(E)-2-thiophen-2-ylethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide has a molecular weight of 342.45 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-[[5-[(E)-2-thiophen-2-ylethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide is sourced from PubChem (CID 17461931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).