5-[4-[2-(4-fluorophenyl)anilino]phenyl]-1,3,4-thiadiazol-2-amine

C20H15FN4S — CID 135347424

IUPAC5-[4-[2-(4-fluorophenyl)anilino]phenyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(-c2ccc(Nc3ccccc3-c3ccc(F)cc3)cc2)s1
InChIInChI=1S/C20H15FN4S/c21-15-9-5-13(6-10-15)17-3-1-2-4-18(17)23-16-11-7-14(8-12-16)19-24-25-20(22)26-19/h1-12,23H,(H2,22,25)
InChIKeyWOTVELLGRFYGIJ-UHFFFAOYSA-N
MW362.43 g/mol
LogP5.34
Rot. Bonds4

About 5-[4-[2-(4-fluorophenyl)anilino]phenyl]-1,3,4-thiadiazol-2-amine

5-[4-[2-(4-fluorophenyl)anilino]phenyl]-1,3,4-thiadiazol-2-amine (PubChem CID 135347424) has the molecular formula C20H15FN4S and a molecular weight of 362.43 g/mol. Its IUPAC name is 5-[4-[2-(4-fluorophenyl)anilino]phenyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[4-[2-(4-fluorophenyl)anilino]phenyl]-1,3,4-thiadiazol-2-amine
PubChem CID135347424
Molecular FormulaC20H15FN4S
Molecular Weight362.43 g/mol
Exact Mass362.10
IUPAC Name5-[4-[2-(4-fluorophenyl)anilino]phenyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(-c2ccc(Nc3ccccc3-c3ccc(F)cc3)cc2)s1
InChIInChI=1S/C20H15FN4S/c21-15-9-5-13(6-10-15)17-3-1-2-4-18(17)23-16-11-7-14(8-12-16)19-24-25-20(22)26-19/h1-12,23H,(H2,22,25)
InChIKeyWOTVELLGRFYGIJ-UHFFFAOYSA-N
XLogP5.34
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.43
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[4-[2-(4-fluorophenyl)anilino]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

Related Compounds

CID 14951359
CID 14951359
CID 5270824
CID 5270824
CID 2727816
CID 2727816
CID 14951372
CID 14951372
CID 76309112
CID 76309112
CID 5270838
CID 5270838
CID 3002888
CID 3002888
CID 3002892
CID 3002892
CID 3002893
CID 3002893
CID 5270696
CID 5270696
CID 5270827
CID 5270827
CID 5270828
CID 5270828

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(4-fluorophenyl)anilino]phenyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[4-[2-(4-fluorophenyl)anilino]phenyl]-1,3,4-thiadiazol-2-amine (CID 135347424) is 5-[4-[2-(4-fluorophenyl)anilino]phenyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[4-[2-(4-fluorophenyl)anilino]phenyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[4-[2-(4-fluorophenyl)anilino]phenyl]-1,3,4-thiadiazol-2-amine is Nc1nnc(-c2ccc(Nc3ccccc3-c3ccc(F)cc3)cc2)s1.
What is the InChIKey of 5-[4-[2-(4-fluorophenyl)anilino]phenyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is WOTVELLGRFYGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4S/c21-15-9-5-13(6-10-15)17-3-1-2-4-18(17)23-16-11-7-14(8-12-16)19-24-25-20(22)26-19/h1-12,23H,(H2,22,25).
What are the key properties of 5-[4-[2-(4-fluorophenyl)anilino]phenyl]-1,3,4-thiadiazol-2-amine?
5-[4-[2-(4-fluorophenyl)anilino]phenyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 362.43 g/mol, XLogP of 5.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-(4-fluorophenyl)anilino]phenyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 135347424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).