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

C15H13N3S — CID 2825085

IUPACN-benzyl-5-phenyl-1,3,4-thiadiazol-2-amine
SMILESc1ccc(CNc2nnc(-c3ccccc3)s2)cc1
InChIInChI=1S/C15H13N3S/c1-3-7-12(8-4-1)11-16-15-18-17-14(19-15)13-9-5-2-6-10-13/h1-10H,11H2,(H,16,18)
InChIKeyRSVVSFGLTRDYOF-UHFFFAOYSA-N
MW267.36 g/mol
LogP3.82
Rot. Bonds4

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

N-benzyl-5-phenyl-1,3,4-thiadiazol-2-amine (PubChem CID 2825085) has the molecular formula C15H13N3S and a molecular weight of 267.36 g/mol. Its IUPAC name is N-benzyl-5-phenyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-benzyl-5-phenyl-1,3,4-thiadiazol-2-amine
PubChem CID2825085
Molecular FormulaC15H13N3S
Molecular Weight267.36 g/mol
Exact Mass267.08
IUPAC NameN-benzyl-5-phenyl-1,3,4-thiadiazol-2-amine
SMILESc1ccc(CNc2nnc(-c3ccccc3)s2)cc1
InChIInChI=1S/C15H13N3S/c1-3-7-12(8-4-1)11-16-15-18-17-14(19-15)13-9-5-2-6-10-13/h1-10H,11H2,(H,16,18)
InChIKeyRSVVSFGLTRDYOF-UHFFFAOYSA-N
XLogP3.82
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 ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-phenyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-benzyl-5-phenyl-1,3,4-thiadiazol-2-amine (CID 2825085) is N-benzyl-5-phenyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-benzyl-5-phenyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-benzyl-5-phenyl-1,3,4-thiadiazol-2-amine is c1ccc(CNc2nnc(-c3ccccc3)s2)cc1.
What is the InChIKey of N-benzyl-5-phenyl-1,3,4-thiadiazol-2-amine?
The InChIKey is RSVVSFGLTRDYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3S/c1-3-7-12(8-4-1)11-16-15-18-17-14(19-15)13-9-5-2-6-10-13/h1-10H,11H2,(H,16,18).
What are the key properties of N-benzyl-5-phenyl-1,3,4-thiadiazol-2-amine?
N-benzyl-5-phenyl-1,3,4-thiadiazol-2-amine has a molecular weight of 267.36 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-phenyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 2825085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).