N-(4-bromophenyl)-5-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine

C14H9BrFN3S — CID 5270825

IUPACN-(4-bromophenyl)-5-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine
SMILESFc1ccc(-c2nnc(Nc3ccc(Br)cc3)s2)cc1
InChIInChI=1S/C14H9BrFN3S/c15-10-3-7-12(8-4-10)17-14-19-18-13(20-14)9-1-5-11(16)6-2-9/h1-8H,(H,17,19)
InChIKeyHUKGWGLMUFOFQH-UHFFFAOYSA-N
MW350.22 g/mol
LogP4.85
Rot. Bonds3

About N-(4-bromophenyl)-5-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine

N-(4-bromophenyl)-5-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine (PubChem CID 5270825) has the molecular formula C14H9BrFN3S and a molecular weight of 350.22 g/mol. Its IUPAC name is N-(4-bromophenyl)-5-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(4-bromophenyl)-5-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine
PubChem CID5270825
Molecular FormulaC14H9BrFN3S
Molecular Weight350.22 g/mol
Exact Mass348.97
IUPAC NameN-(4-bromophenyl)-5-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine
SMILESFc1ccc(-c2nnc(Nc3ccc(Br)cc3)s2)cc1
InChIInChI=1S/C14H9BrFN3S/c15-10-3-7-12(8-4-10)17-14-19-18-13(20-14)9-1-5-11(16)6-2-9/h1-8H,(H,17,19)
InChIKeyHUKGWGLMUFOFQH-UHFFFAOYSA-N
XLogP4.85
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.22
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-bromophenyl)-5-(4-fluorophenyl)-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 N-(4-bromophenyl)-5-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(4-bromophenyl)-5-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine (CID 5270825) is N-(4-bromophenyl)-5-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(4-bromophenyl)-5-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(4-bromophenyl)-5-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine is Fc1ccc(-c2nnc(Nc3ccc(Br)cc3)s2)cc1.
What is the InChIKey of N-(4-bromophenyl)-5-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is HUKGWGLMUFOFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrFN3S/c15-10-3-7-12(8-4-10)17-14-19-18-13(20-14)9-1-5-11(16)6-2-9/h1-8H,(H,17,19).
What are the key properties of N-(4-bromophenyl)-5-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine?
N-(4-bromophenyl)-5-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 350.22 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-5-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 5270825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).