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

C9H9N3S — CID 754823

IUPAC5-benzyl-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(Cc2ccccc2)s1
InChIInChI=1S/C9H9N3S/c10-9-12-11-8(13-9)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,10,12)
InChIKeyHKTCSEFOSVTSQV-UHFFFAOYSA-N
MW191.26 g/mol
LogP1.71
Rot. Bonds2

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

5-benzyl-1,3,4-thiadiazol-2-amine (PubChem CID 754823) has the molecular formula C9H9N3S and a molecular weight of 191.26 g/mol. Its IUPAC name is 5-benzyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-benzyl-1,3,4-thiadiazol-2-amine
PubChem CID754823
Molecular FormulaC9H9N3S
Molecular Weight191.26 g/mol
Exact Mass191.05
IUPAC Name5-benzyl-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(Cc2ccccc2)s1
InChIInChI=1S/C9H9N3S/c10-9-12-11-8(13-9)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,10,12)
InChIKeyHKTCSEFOSVTSQV-UHFFFAOYSA-N
XLogP1.71
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.26
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-benzyl-1,3,4-thiadiazol-2-amine 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 5-benzyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-benzyl-1,3,4-thiadiazol-2-amine (CID 754823) is 5-benzyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-benzyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-benzyl-1,3,4-thiadiazol-2-amine is Nc1nnc(Cc2ccccc2)s1.
What is the InChIKey of 5-benzyl-1,3,4-thiadiazol-2-amine?
The InChIKey is HKTCSEFOSVTSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3S/c10-9-12-11-8(13-9)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,10,12).
What are the key properties of 5-benzyl-1,3,4-thiadiazol-2-amine?
5-benzyl-1,3,4-thiadiazol-2-amine has a molecular weight of 191.26 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 754823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).