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

C15H11ClN4OS2 — CID 3163620

IUPACN-(4-chlorophenyl)-2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nnc(-c2ccncc2)s1)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H11ClN4OS2/c16-11-1-3-12(4-2-11)18-13(21)9-22-15-20-19-14(23-15)10-5-7-17-8-6-10/h1-8H,9H2,(H,18,21)
InChIKeyMAOJEYGZKNTUCJ-UHFFFAOYSA-N
MW362.87 g/mol
LogP3.98
Rot. Bonds5

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

N-(4-chlorophenyl)-2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (PubChem CID 3163620) has the molecular formula C15H11ClN4OS2 and a molecular weight of 362.87 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
PubChem CID3163620
Molecular FormulaC15H11ClN4OS2
Molecular Weight362.87 g/mol
Exact Mass362.01
IUPAC NameN-(4-chlorophenyl)-2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nnc(-c2ccncc2)s1)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H11ClN4OS2/c16-11-1-3-12(4-2-11)18-13(21)9-22-15-20-19-14(23-15)10-5-7-17-8-6-10/h1-8H,9H2,(H,18,21)
InChIKeyMAOJEYGZKNTUCJ-UHFFFAOYSA-N
XLogP3.98
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.87
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-chlorophenyl)-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-(4-chlorophenyl)-2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (CID 3163620) is N-(4-chlorophenyl)-2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is O=C(CSc1nnc(-c2ccncc2)s1)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is MAOJEYGZKNTUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN4OS2/c16-11-1-3-12(4-2-11)18-13(21)9-22-15-20-19-14(23-15)10-5-7-17-8-6-10/h1-8H,9H2,(H,18,21).
What are the key properties of N-(4-chlorophenyl)-2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
N-(4-chlorophenyl)-2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 362.87 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 3163620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).