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

C15H12N2S2 — CID 22482115

IUPAC2-benzylsulfanyl-5-phenyl-1,3,4-thiadiazole
SMILESc1ccc(CSc2nnc(-c3ccccc3)s2)cc1
InChIInChI=1S/C15H12N2S2/c1-3-7-12(8-4-1)11-18-15-17-16-14(19-15)13-9-5-2-6-10-13/h1-10H,11H2
InChIKeyCROHDGVJTBVVNY-UHFFFAOYSA-N
MW284.41 g/mol
LogP4.50
Rot. Bonds4

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

2-benzylsulfanyl-5-phenyl-1,3,4-thiadiazole (PubChem CID 22482115) has the molecular formula C15H12N2S2 and a molecular weight of 284.41 g/mol. Its IUPAC name is 2-benzylsulfanyl-5-phenyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-benzylsulfanyl-5-phenyl-1,3,4-thiadiazole
PubChem CID22482115
Molecular FormulaC15H12N2S2
Molecular Weight284.41 g/mol
Exact Mass284.04
IUPAC Name2-benzylsulfanyl-5-phenyl-1,3,4-thiadiazole
SMILESc1ccc(CSc2nnc(-c3ccccc3)s2)cc1
InChIInChI=1S/C15H12N2S2/c1-3-7-12(8-4-1)11-18-15-17-16-14(19-15)13-9-5-2-6-10-13/h1-10H,11H2
InChIKeyCROHDGVJTBVVNY-UHFFFAOYSA-N
XLogP4.50
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-5-phenyl-1,3,4-thiadiazole?
The IUPAC name of 2-benzylsulfanyl-5-phenyl-1,3,4-thiadiazole (CID 22482115) is 2-benzylsulfanyl-5-phenyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-benzylsulfanyl-5-phenyl-1,3,4-thiadiazole?
The canonical SMILES for 2-benzylsulfanyl-5-phenyl-1,3,4-thiadiazole is c1ccc(CSc2nnc(-c3ccccc3)s2)cc1.
What is the InChIKey of 2-benzylsulfanyl-5-phenyl-1,3,4-thiadiazole?
The InChIKey is CROHDGVJTBVVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2S2/c1-3-7-12(8-4-1)11-18-15-17-16-14(19-15)13-9-5-2-6-10-13/h1-10H,11H2.
What are the key properties of 2-benzylsulfanyl-5-phenyl-1,3,4-thiadiazole?
2-benzylsulfanyl-5-phenyl-1,3,4-thiadiazole has a molecular weight of 284.41 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-5-phenyl-1,3,4-thiadiazole is sourced from PubChem (CID 22482115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).