2-phenyl-5-phenylsulfanyl-1,3,4-thiadiazole

C14H10N2S2 — CID 822049

IUPAC2-phenyl-5-phenylsulfanyl-1,3,4-thiadiazole
SMILESc1ccc(Sc2nnc(-c3ccccc3)s2)cc1
InChIInChI=1S/C14H10N2S2/c1-3-7-11(8-4-1)13-15-16-14(18-13)17-12-9-5-2-6-10-12/h1-10H
InChIKeyMVEKTSVQXZYXKH-UHFFFAOYSA-N
MW270.38 g/mol
LogP4.36
Rot. Bonds3

About 2-phenyl-5-phenylsulfanyl-1,3,4-thiadiazole

2-phenyl-5-phenylsulfanyl-1,3,4-thiadiazole (PubChem CID 822049) has the molecular formula C14H10N2S2 and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-phenyl-5-phenylsulfanyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-phenyl-5-phenylsulfanyl-1,3,4-thiadiazole
PubChem CID822049
Molecular FormulaC14H10N2S2
Molecular Weight270.38 g/mol
Exact Mass270.03
IUPAC Name2-phenyl-5-phenylsulfanyl-1,3,4-thiadiazole
SMILESc1ccc(Sc2nnc(-c3ccccc3)s2)cc1
InChIInChI=1S/C14H10N2S2/c1-3-7-11(8-4-1)13-15-16-14(18-13)17-12-9-5-2-6-10-12/h1-10H
InChIKeyMVEKTSVQXZYXKH-UHFFFAOYSA-N
XLogP4.36
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-phenyl-5-phenylsulfanyl-1,3,4-thiadiazole 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-phenyl-5-phenylsulfanyl-1,3,4-thiadiazole?
The IUPAC name of 2-phenyl-5-phenylsulfanyl-1,3,4-thiadiazole (CID 822049) is 2-phenyl-5-phenylsulfanyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-phenyl-5-phenylsulfanyl-1,3,4-thiadiazole?
The canonical SMILES for 2-phenyl-5-phenylsulfanyl-1,3,4-thiadiazole is c1ccc(Sc2nnc(-c3ccccc3)s2)cc1.
What is the InChIKey of 2-phenyl-5-phenylsulfanyl-1,3,4-thiadiazole?
The InChIKey is MVEKTSVQXZYXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2S2/c1-3-7-11(8-4-1)13-15-16-14(18-13)17-12-9-5-2-6-10-12/h1-10H.
What are the key properties of 2-phenyl-5-phenylsulfanyl-1,3,4-thiadiazole?
2-phenyl-5-phenylsulfanyl-1,3,4-thiadiazole has a molecular weight of 270.38 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-phenylsulfanyl-1,3,4-thiadiazole is sourced from PubChem (CID 822049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).