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

C15H12N4OS2 — CID 3163619

IUPACN-phenyl-2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nnc(-c2ccncc2)s1)Nc1ccccc1
InChIInChI=1S/C15H12N4OS2/c20-13(17-12-4-2-1-3-5-12)10-21-15-19-18-14(22-15)11-6-8-16-9-7-11/h1-9H,10H2,(H,17,20)
InChIKeyDCQKQOFUKDTTHI-UHFFFAOYSA-N
MW328.42 g/mol
LogP3.33
Rot. Bonds5

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

N-phenyl-2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (PubChem CID 3163619) has the molecular formula C15H12N4OS2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-phenyl-2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-phenyl-2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
PubChem CID3163619
Molecular FormulaC15H12N4OS2
Molecular Weight328.42 g/mol
Exact Mass328.05
IUPAC NameN-phenyl-2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nnc(-c2ccncc2)s1)Nc1ccccc1
InChIInChI=1S/C15H12N4OS2/c20-13(17-12-4-2-1-3-5-12)10-21-15-19-18-14(22-15)11-6-8-16-9-7-11/h1-9H,10H2,(H,17,20)
InChIKeyDCQKQOFUKDTTHI-UHFFFAOYSA-N
XLogP3.33
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-phenyl-2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-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-phenyl-2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-phenyl-2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (CID 3163619) is N-phenyl-2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-phenyl-2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-phenyl-2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is O=C(CSc1nnc(-c2ccncc2)s1)Nc1ccccc1.
What is the InChIKey of N-phenyl-2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is DCQKQOFUKDTTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4OS2/c20-13(17-12-4-2-1-3-5-12)10-21-15-19-18-14(22-15)11-6-8-16-9-7-11/h1-9H,10H2,(H,17,20).
What are the key properties of N-phenyl-2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
N-phenyl-2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 328.42 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 3163619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).