2-(4-chlorophenyl)-5-[(3-phenyl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole

C19H14ClN5OS2 — CID 42892207

IUPAC2-(4-chlorophenyl)-5-[(3-phenyl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole
SMILESClc1ccc(-c2nnc(SCC3CSc4nnc(-c5ccccc5)n43)o2)cc1
InChIInChI=1S/C19H14ClN5OS2/c20-14-8-6-13(7-9-14)17-22-24-19(26-17)28-11-15-10-27-18-23-21-16(25(15)18)12-4-2-1-3-5-12/h1-9,15H,10-11H2
InChIKeySFRNUGKCCHACSJ-UHFFFAOYSA-N
MW427.94 g/mol
LogP5.09
Rot. Bonds5

About 2-(4-chlorophenyl)-5-[(3-phenyl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole

2-(4-chlorophenyl)-5-[(3-phenyl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole (PubChem CID 42892207) has the molecular formula C19H14ClN5OS2 and a molecular weight of 427.94 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-[(3-phenyl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-[(3-phenyl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole
PubChem CID42892207
Molecular FormulaC19H14ClN5OS2
Molecular Weight427.94 g/mol
Exact Mass427.03
IUPAC Name2-(4-chlorophenyl)-5-[(3-phenyl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole
SMILESClc1ccc(-c2nnc(SCC3CSc4nnc(-c5ccccc5)n43)o2)cc1
InChIInChI=1S/C19H14ClN5OS2/c20-14-8-6-13(7-9-14)17-22-24-19(26-17)28-11-15-10-27-18-23-21-16(25(15)18)12-4-2-1-3-5-12/h1-9,15H,10-11H2
InChIKeySFRNUGKCCHACSJ-UHFFFAOYSA-N
XLogP5.09
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.94
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-(4-chlorophenyl)-5-[(3-phenyl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)methylsulfanyl]-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-[(3-phenyl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-chlorophenyl)-5-[(3-phenyl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole (CID 42892207) is 2-(4-chlorophenyl)-5-[(3-phenyl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-chlorophenyl)-5-[(3-phenyl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-chlorophenyl)-5-[(3-phenyl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole is Clc1ccc(-c2nnc(SCC3CSc4nnc(-c5ccccc5)n43)o2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-5-[(3-phenyl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole?
The InChIKey is SFRNUGKCCHACSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN5OS2/c20-14-8-6-13(7-9-14)17-22-24-19(26-17)28-11-15-10-27-18-23-21-16(25(15)18)12-4-2-1-3-5-12/h1-9,15H,10-11H2.
What are the key properties of 2-(4-chlorophenyl)-5-[(3-phenyl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole?
2-(4-chlorophenyl)-5-[(3-phenyl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole has a molecular weight of 427.94 g/mol, XLogP of 5.09, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-[(3-phenyl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole is sourced from PubChem (CID 42892207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).