5-(3,4-difluorophenyl)-N-phenyl-1,3,4-thiadiazol-2-amine

C14H9F2N3S — CID 23878745

IUPAC5-(3,4-difluorophenyl)-N-phenyl-1,3,4-thiadiazol-2-amine
SMILESFc1ccc(-c2nnc(Nc3ccccc3)s2)cc1F
InChIInChI=1S/C14H9F2N3S/c15-11-7-6-9(8-12(11)16)13-18-19-14(20-13)17-10-4-2-1-3-5-10/h1-8H,(H,17,19)
InChIKeyCMXLITFYYDJXHV-UHFFFAOYSA-N
MW289.31 g/mol
LogP4.23
Rot. Bonds3

About 5-(3,4-difluorophenyl)-N-phenyl-1,3,4-thiadiazol-2-amine

5-(3,4-difluorophenyl)-N-phenyl-1,3,4-thiadiazol-2-amine (PubChem CID 23878745) has the molecular formula C14H9F2N3S and a molecular weight of 289.31 g/mol. Its IUPAC name is 5-(3,4-difluorophenyl)-N-phenyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(3,4-difluorophenyl)-N-phenyl-1,3,4-thiadiazol-2-amine
PubChem CID23878745
Molecular FormulaC14H9F2N3S
Molecular Weight289.31 g/mol
Exact Mass289.05
IUPAC Name5-(3,4-difluorophenyl)-N-phenyl-1,3,4-thiadiazol-2-amine
SMILESFc1ccc(-c2nnc(Nc3ccccc3)s2)cc1F
InChIInChI=1S/C14H9F2N3S/c15-11-7-6-9(8-12(11)16)13-18-19-14(20-13)17-10-4-2-1-3-5-10/h1-8H,(H,17,19)
InChIKeyCMXLITFYYDJXHV-UHFFFAOYSA-N
XLogP4.23
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(3,4-difluorophenyl)-N-phenyl-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-(3,4-difluorophenyl)-N-phenyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(3,4-difluorophenyl)-N-phenyl-1,3,4-thiadiazol-2-amine (CID 23878745) is 5-(3,4-difluorophenyl)-N-phenyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(3,4-difluorophenyl)-N-phenyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(3,4-difluorophenyl)-N-phenyl-1,3,4-thiadiazol-2-amine is Fc1ccc(-c2nnc(Nc3ccccc3)s2)cc1F.
What is the InChIKey of 5-(3,4-difluorophenyl)-N-phenyl-1,3,4-thiadiazol-2-amine?
The InChIKey is CMXLITFYYDJXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2N3S/c15-11-7-6-9(8-12(11)16)13-18-19-14(20-13)17-10-4-2-1-3-5-10/h1-8H,(H,17,19).
What are the key properties of 5-(3,4-difluorophenyl)-N-phenyl-1,3,4-thiadiazol-2-amine?
5-(3,4-difluorophenyl)-N-phenyl-1,3,4-thiadiazol-2-amine has a molecular weight of 289.31 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-difluorophenyl)-N-phenyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 23878745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).