2-(2-chlorophenyl)-5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1,3,4-oxadiazole

C11H7ClN4OS2 — CID 41488022

IUPAC2-(2-chlorophenyl)-5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1,3,4-oxadiazole
SMILESClc1ccccc1-c1nnc(CSc2nncs2)o1
InChIInChI=1S/C11H7ClN4OS2/c12-8-4-2-1-3-7(8)10-15-14-9(17-10)5-18-11-16-13-6-19-11/h1-4,6H,5H2
InChIKeyGPGDBDCTLHBHBT-UHFFFAOYSA-N
MW310.79 g/mol
LogP3.53
Rot. Bonds4

About 2-(2-chlorophenyl)-5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1,3,4-oxadiazole

2-(2-chlorophenyl)-5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1,3,4-oxadiazole (PubChem CID 41488022) has the molecular formula C11H7ClN4OS2 and a molecular weight of 310.79 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-chlorophenyl)-5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1,3,4-oxadiazole
PubChem CID41488022
Molecular FormulaC11H7ClN4OS2
Molecular Weight310.79 g/mol
Exact Mass309.97
IUPAC Name2-(2-chlorophenyl)-5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1,3,4-oxadiazole
SMILESClc1ccccc1-c1nnc(CSc2nncs2)o1
InChIInChI=1S/C11H7ClN4OS2/c12-8-4-2-1-3-7(8)10-15-14-9(17-10)5-18-11-16-13-6-19-11/h1-4,6H,5H2
InChIKeyGPGDBDCTLHBHBT-UHFFFAOYSA-N
XLogP3.53
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.79
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(2-chlorophenyl)-5-(1,3,4-thiadiazol-2-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

Related Compounds

2-(2-bromophenyl)-5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1,3,4-oxadiazole
CID 2532092
2-phenyl-5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1,3,4-oxadiazole
CID 2106171
[5-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine
CID 102629754
2-(2-chlorophenyl)-5-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)-1,3,4-oxadiazole
CID 34246919
2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethanethiol
CID 82159367
2-(2-chlorophenyl)-5-[[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 92644789
5-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-N-(3,4-dimethylphenyl)-1,3,4-thiadiazol-2-amine
CID 41299417
2-(2-chlorophenyl)-5-(1,2,4-triazol-4-ylmethyl)-1,3,4-oxadiazole
CID 45029366
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]propan-1-ol
CID 112695503
(1S)-2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1-phenylethanol
CID 97014842
2,5-bis(2-chlorophenyl)-1,3,4-oxadiazole
CID 756154
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-3-methylbutanoic acid
CID 105353798

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(2-chlorophenyl)-5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1,3,4-oxadiazole (CID 41488022) is 2-(2-chlorophenyl)-5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-chlorophenyl)-5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-chlorophenyl)-5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1,3,4-oxadiazole is Clc1ccccc1-c1nnc(CSc2nncs2)o1.
What is the InChIKey of 2-(2-chlorophenyl)-5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1,3,4-oxadiazole?
The InChIKey is GPGDBDCTLHBHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN4OS2/c12-8-4-2-1-3-7(8)10-15-14-9(17-10)5-18-11-16-13-6-19-11/h1-4,6H,5H2.
What are the key properties of 2-(2-chlorophenyl)-5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1,3,4-oxadiazole?
2-(2-chlorophenyl)-5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1,3,4-oxadiazole has a molecular weight of 310.79 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 41488022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).