5-(4-phenylphenyl)-1,3,4-thiadiazol-2-amine

C14H11N3S — CID 3734655

IUPAC5-(4-phenylphenyl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(-c2ccc(-c3ccccc3)cc2)s1
InChIInChI=1S/C14H11N3S/c15-14-17-16-13(18-14)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H2,15,17)
InChIKeyHMBUEMMYOIVIOM-UHFFFAOYSA-N
MW253.33 g/mol
LogP3.45
Rot. Bonds2

About 5-(4-phenylphenyl)-1,3,4-thiadiazol-2-amine

5-(4-phenylphenyl)-1,3,4-thiadiazol-2-amine (PubChem CID 3734655) has the molecular formula C14H11N3S and a molecular weight of 253.33 g/mol. Its IUPAC name is 5-(4-phenylphenyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(4-phenylphenyl)-1,3,4-thiadiazol-2-amine
PubChem CID3734655
Molecular FormulaC14H11N3S
Molecular Weight253.33 g/mol
Exact Mass253.07
IUPAC Name5-(4-phenylphenyl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(-c2ccc(-c3ccccc3)cc2)s1
InChIInChI=1S/C14H11N3S/c15-14-17-16-13(18-14)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H2,15,17)
InChIKeyHMBUEMMYOIVIOM-UHFFFAOYSA-N
XLogP3.45
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(4-phenylphenyl)-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-(4-phenylphenyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(4-phenylphenyl)-1,3,4-thiadiazol-2-amine (CID 3734655) is 5-(4-phenylphenyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(4-phenylphenyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(4-phenylphenyl)-1,3,4-thiadiazol-2-amine is Nc1nnc(-c2ccc(-c3ccccc3)cc2)s1.
What is the InChIKey of 5-(4-phenylphenyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is HMBUEMMYOIVIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3S/c15-14-17-16-13(18-14)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H2,15,17).
What are the key properties of 5-(4-phenylphenyl)-1,3,4-thiadiazol-2-amine?
5-(4-phenylphenyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 253.33 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-phenylphenyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 3734655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).