N-[4-[4-chloro-3-(trifluoromethyl)phenyl]phenyl]-1,3,4-thiadiazol-2-amine

C15H9ClF3N3S — CID 73295565

IUPACN-[4-[4-chloro-3-(trifluoromethyl)phenyl]phenyl]-1,3,4-thiadiazol-2-amine
SMILESFC(F)(F)c1cc(-c2ccc(Nc3nncs3)cc2)ccc1Cl
InChIInChI=1S/C15H9ClF3N3S/c16-13-6-3-10(7-12(13)15(17,18)19)9-1-4-11(5-2-9)21-14-22-20-8-23-14/h1-8H,(H,21,22)
InChIKeyPILZNCSONFVBOX-UHFFFAOYSA-N
MW355.77 g/mol
LogP5.62
Rot. Bonds3

About N-[4-[4-chloro-3-(trifluoromethyl)phenyl]phenyl]-1,3,4-thiadiazol-2-amine

N-[4-[4-chloro-3-(trifluoromethyl)phenyl]phenyl]-1,3,4-thiadiazol-2-amine (PubChem CID 73295565) has the molecular formula C15H9ClF3N3S and a molecular weight of 355.77 g/mol. Its IUPAC name is N-[4-[4-chloro-3-(trifluoromethyl)phenyl]phenyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[4-[4-chloro-3-(trifluoromethyl)phenyl]phenyl]-1,3,4-thiadiazol-2-amine
PubChem CID73295565
Molecular FormulaC15H9ClF3N3S
Molecular Weight355.77 g/mol
Exact Mass355.02
IUPAC NameN-[4-[4-chloro-3-(trifluoromethyl)phenyl]phenyl]-1,3,4-thiadiazol-2-amine
SMILESFC(F)(F)c1cc(-c2ccc(Nc3nncs3)cc2)ccc1Cl
InChIInChI=1S/C15H9ClF3N3S/c16-13-6-3-10(7-12(13)15(17,18)19)9-1-4-11(5-2-9)21-14-22-20-8-23-14/h1-8H,(H,21,22)
InChIKeyPILZNCSONFVBOX-UHFFFAOYSA-N
XLogP5.62
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.77
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-chloro-3-(trifluoromethyl)phenyl]phenyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[4-[4-chloro-3-(trifluoromethyl)phenyl]phenyl]-1,3,4-thiadiazol-2-amine (CID 73295565) is N-[4-[4-chloro-3-(trifluoromethyl)phenyl]phenyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[4-[4-chloro-3-(trifluoromethyl)phenyl]phenyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[4-[4-chloro-3-(trifluoromethyl)phenyl]phenyl]-1,3,4-thiadiazol-2-amine is FC(F)(F)c1cc(-c2ccc(Nc3nncs3)cc2)ccc1Cl.
What is the InChIKey of N-[4-[4-chloro-3-(trifluoromethyl)phenyl]phenyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is PILZNCSONFVBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF3N3S/c16-13-6-3-10(7-12(13)15(17,18)19)9-1-4-11(5-2-9)21-14-22-20-8-23-14/h1-8H,(H,21,22).
What are the key properties of N-[4-[4-chloro-3-(trifluoromethyl)phenyl]phenyl]-1,3,4-thiadiazol-2-amine?
N-[4-[4-chloro-3-(trifluoromethyl)phenyl]phenyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 355.77 g/mol, XLogP of 5.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-chloro-3-(trifluoromethyl)phenyl]phenyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 73295565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).