2-(4-chlorophenyl)-5-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanylmethyl)-1,3,4-oxadiazole

C17H10ClN5OS2 — CID 2427104

IUPAC2-(4-chlorophenyl)-5-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanylmethyl)-1,3,4-oxadiazole
SMILESClc1ccc(-c2nnc(CSc3nnc4sc5ccccc5n34)o2)cc1
InChIInChI=1S/C17H10ClN5OS2/c18-11-7-5-10(6-8-11)15-20-19-14(24-15)9-25-16-21-22-17-23(16)12-3-1-2-4-13(12)26-17/h1-8H,9H2
InChIKeyVSZKGZLXZNYAIV-UHFFFAOYSA-N
MW399.89 g/mol
LogP4.94
Rot. Bonds4

About 2-(4-chlorophenyl)-5-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanylmethyl)-1,3,4-oxadiazole

2-(4-chlorophenyl)-5-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanylmethyl)-1,3,4-oxadiazole (PubChem CID 2427104) has the molecular formula C17H10ClN5OS2 and a molecular weight of 399.89 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanylmethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanylmethyl)-1,3,4-oxadiazole
PubChem CID2427104
Molecular FormulaC17H10ClN5OS2
Molecular Weight399.89 g/mol
Exact Mass399.00
IUPAC Name2-(4-chlorophenyl)-5-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanylmethyl)-1,3,4-oxadiazole
SMILESClc1ccc(-c2nnc(CSc3nnc4sc5ccccc5n34)o2)cc1
InChIInChI=1S/C17H10ClN5OS2/c18-11-7-5-10(6-8-11)15-20-19-14(24-15)9-25-16-21-22-17-23(16)12-3-1-2-4-13(12)26-17/h1-8H,9H2
InChIKeyVSZKGZLXZNYAIV-UHFFFAOYSA-N
XLogP4.94
TPSA69.11 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.89
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-(4-chlorophenyl)-5-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanylmethyl)-1,3,4-oxadiazole 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-(4-chlorophenyl)-5-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanylmethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(4-chlorophenyl)-5-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanylmethyl)-1,3,4-oxadiazole (CID 2427104) is 2-(4-chlorophenyl)-5-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanylmethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-chlorophenyl)-5-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanylmethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-chlorophenyl)-5-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanylmethyl)-1,3,4-oxadiazole is Clc1ccc(-c2nnc(CSc3nnc4sc5ccccc5n34)o2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-5-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanylmethyl)-1,3,4-oxadiazole?
The InChIKey is VSZKGZLXZNYAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClN5OS2/c18-11-7-5-10(6-8-11)15-20-19-14(24-15)9-25-16-21-22-17-23(16)12-3-1-2-4-13(12)26-17/h1-8H,9H2.
What are the key properties of 2-(4-chlorophenyl)-5-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanylmethyl)-1,3,4-oxadiazole?
2-(4-chlorophenyl)-5-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanylmethyl)-1,3,4-oxadiazole has a molecular weight of 399.89 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanylmethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 2427104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).