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

C15H13N3S — CID 692326

IUPAC5-benzyl-N-phenyl-1,3,4-thiadiazol-2-amine
SMILESc1ccc(Cc2nnc(Nc3ccccc3)s2)cc1
InChIInChI=1S/C15H13N3S/c1-3-7-12(8-4-1)11-14-17-18-15(19-14)16-13-9-5-2-6-10-13/h1-10H,11H2,(H,16,18)
InChIKeyAGJGEZUUEYZNOA-UHFFFAOYSA-N
MW267.36 g/mol
LogP3.87
Rot. Bonds4

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

5-benzyl-N-phenyl-1,3,4-thiadiazol-2-amine (PubChem CID 692326) has the molecular formula C15H13N3S and a molecular weight of 267.36 g/mol. Its IUPAC name is 5-benzyl-N-phenyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-benzyl-N-phenyl-1,3,4-thiadiazol-2-amine
PubChem CID692326
Molecular FormulaC15H13N3S
Molecular Weight267.36 g/mol
Exact Mass267.08
IUPAC Name5-benzyl-N-phenyl-1,3,4-thiadiazol-2-amine
SMILESc1ccc(Cc2nnc(Nc3ccccc3)s2)cc1
InChIInChI=1S/C15H13N3S/c1-3-7-12(8-4-1)11-14-17-18-15(19-14)16-13-9-5-2-6-10-13/h1-10H,11H2,(H,16,18)
InChIKeyAGJGEZUUEYZNOA-UHFFFAOYSA-N
XLogP3.87
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-N-phenyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-benzyl-N-phenyl-1,3,4-thiadiazol-2-amine (CID 692326) is 5-benzyl-N-phenyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-benzyl-N-phenyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-benzyl-N-phenyl-1,3,4-thiadiazol-2-amine is c1ccc(Cc2nnc(Nc3ccccc3)s2)cc1.
What is the InChIKey of 5-benzyl-N-phenyl-1,3,4-thiadiazol-2-amine?
The InChIKey is AGJGEZUUEYZNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3S/c1-3-7-12(8-4-1)11-14-17-18-15(19-14)16-13-9-5-2-6-10-13/h1-10H,11H2,(H,16,18).
What are the key properties of 5-benzyl-N-phenyl-1,3,4-thiadiazol-2-amine?
5-benzyl-N-phenyl-1,3,4-thiadiazol-2-amine has a molecular weight of 267.36 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-N-phenyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 692326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).