5-benzylsulfanyl-N-phenyl-1,3,4-thiadiazol-2-amine

C15H13N3S2 — CID 806996

IUPAC5-benzylsulfanyl-N-phenyl-1,3,4-thiadiazol-2-amine
SMILESc1ccc(CSc2nnc(Nc3ccccc3)s2)cc1
InChIInChI=1S/C15H13N3S2/c1-3-7-12(8-4-1)11-19-15-18-17-14(20-15)16-13-9-5-2-6-10-13/h1-10H,11H2,(H,16,17)
InChIKeyUFGCBNVUTIIWBF-UHFFFAOYSA-N
MW299.42 g/mol
LogP4.57
Rot. Bonds5

About 5-benzylsulfanyl-N-phenyl-1,3,4-thiadiazol-2-amine

5-benzylsulfanyl-N-phenyl-1,3,4-thiadiazol-2-amine (PubChem CID 806996) has the molecular formula C15H13N3S2 and a molecular weight of 299.42 g/mol. Its IUPAC name is 5-benzylsulfanyl-N-phenyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-benzylsulfanyl-N-phenyl-1,3,4-thiadiazol-2-amine
PubChem CID806996
Molecular FormulaC15H13N3S2
Molecular Weight299.42 g/mol
Exact Mass299.06
IUPAC Name5-benzylsulfanyl-N-phenyl-1,3,4-thiadiazol-2-amine
SMILESc1ccc(CSc2nnc(Nc3ccccc3)s2)cc1
InChIInChI=1S/C15H13N3S2/c1-3-7-12(8-4-1)11-19-15-18-17-14(20-15)16-13-9-5-2-6-10-13/h1-10H,11H2,(H,16,17)
InChIKeyUFGCBNVUTIIWBF-UHFFFAOYSA-N
XLogP4.57
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-benzylsulfanyl-N-phenyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-benzylsulfanyl-N-phenyl-1,3,4-thiadiazol-2-amine (CID 806996) is 5-benzylsulfanyl-N-phenyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-benzylsulfanyl-N-phenyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-benzylsulfanyl-N-phenyl-1,3,4-thiadiazol-2-amine is c1ccc(CSc2nnc(Nc3ccccc3)s2)cc1.
What is the InChIKey of 5-benzylsulfanyl-N-phenyl-1,3,4-thiadiazol-2-amine?
The InChIKey is UFGCBNVUTIIWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3S2/c1-3-7-12(8-4-1)11-19-15-18-17-14(20-15)16-13-9-5-2-6-10-13/h1-10H,11H2,(H,16,17).
What are the key properties of 5-benzylsulfanyl-N-phenyl-1,3,4-thiadiazol-2-amine?
5-benzylsulfanyl-N-phenyl-1,3,4-thiadiazol-2-amine has a molecular weight of 299.42 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzylsulfanyl-N-phenyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 806996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).