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

C15H13ClN4OS2 — CID 2746662

IUPACN-(3-chlorophenyl)-2-[(2-pyridin-2-yl-2,3-dihydro-1,3,4-thiadiazol-5-yl)sulfanyl]acetamide
SMILESO=C(CSC1=NNC(c2ccccn2)S1)Nc1cccc(Cl)c1
InChIInChI=1S/C15H13ClN4OS2/c16-10-4-3-5-11(8-10)18-13(21)9-22-15-20-19-14(23-15)12-6-1-2-7-17-12/h1-8,14,19H,9H2,(H,18,21)
InChIKeyUTCYFHPJTTXHSE-UHFFFAOYSA-N
MW364.88 g/mol
LogP3.71
Rot. Bonds4

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

N-(3-chlorophenyl)-2-[(2-pyridin-2-yl-2,3-dihydro-1,3,4-thiadiazol-5-yl)sulfanyl]acetamide (PubChem CID 2746662) has the molecular formula C15H13ClN4OS2 and a molecular weight of 364.88 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[(2-pyridin-2-yl-2,3-dihydro-1,3,4-thiadiazol-5-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[(2-pyridin-2-yl-2,3-dihydro-1,3,4-thiadiazol-5-yl)sulfanyl]acetamide
PubChem CID2746662
Molecular FormulaC15H13ClN4OS2
Molecular Weight364.88 g/mol
Exact Mass364.02
IUPAC NameN-(3-chlorophenyl)-2-[(2-pyridin-2-yl-2,3-dihydro-1,3,4-thiadiazol-5-yl)sulfanyl]acetamide
SMILESO=C(CSC1=NNC(c2ccccn2)S1)Nc1cccc(Cl)c1
InChIInChI=1S/C15H13ClN4OS2/c16-10-4-3-5-11(8-10)18-13(21)9-22-15-20-19-14(23-15)12-6-1-2-7-17-12/h1-8,14,19H,9H2,(H,18,21)
InChIKeyUTCYFHPJTTXHSE-UHFFFAOYSA-N
XLogP3.71
TPSA66.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.88
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(3-chlorophenyl)-2-[(2-pyridin-2-yl-2,3-dihydro-1,3,4-thiadiazol-5-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-(3-chlorophenyl)-2-[(2-pyridin-2-yl-2,3-dihydro-1,3,4-thiadiazol-5-yl)sulfanyl]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[(2-pyridin-2-yl-2,3-dihydro-1,3,4-thiadiazol-5-yl)sulfanyl]acetamide (CID 2746662) is N-(3-chlorophenyl)-2-[(2-pyridin-2-yl-2,3-dihydro-1,3,4-thiadiazol-5-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[(2-pyridin-2-yl-2,3-dihydro-1,3,4-thiadiazol-5-yl)sulfanyl]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[(2-pyridin-2-yl-2,3-dihydro-1,3,4-thiadiazol-5-yl)sulfanyl]acetamide is O=C(CSC1=NNC(c2ccccn2)S1)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-[(2-pyridin-2-yl-2,3-dihydro-1,3,4-thiadiazol-5-yl)sulfanyl]acetamide?
The InChIKey is UTCYFHPJTTXHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4OS2/c16-10-4-3-5-11(8-10)18-13(21)9-22-15-20-19-14(23-15)12-6-1-2-7-17-12/h1-8,14,19H,9H2,(H,18,21).
What are the key properties of N-(3-chlorophenyl)-2-[(2-pyridin-2-yl-2,3-dihydro-1,3,4-thiadiazol-5-yl)sulfanyl]acetamide?
N-(3-chlorophenyl)-2-[(2-pyridin-2-yl-2,3-dihydro-1,3,4-thiadiazol-5-yl)sulfanyl]acetamide has a molecular weight of 364.88 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[(2-pyridin-2-yl-2,3-dihydro-1,3,4-thiadiazol-5-yl)sulfanyl]acetamide is sourced from PubChem (CID 2746662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).