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

C15H11F3N4S — CID 14951359

IUPAC5-[2-[3-(trifluoromethyl)anilino]phenyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(-c2ccccc2Nc2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C15H11F3N4S/c16-15(17,18)9-4-3-5-10(8-9)20-12-7-2-1-6-11(12)13-21-22-14(19)23-13/h1-8,20H,(H2,19,22)
InChIKeyYDSTXHKQKOVXIJ-UHFFFAOYSA-N
MW336.34 g/mol
LogP4.55
Rot. Bonds3

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

5-[2-[3-(trifluoromethyl)anilino]phenyl]-1,3,4-thiadiazol-2-amine (PubChem CID 14951359) has the molecular formula C15H11F3N4S and a molecular weight of 336.34 g/mol. Its IUPAC name is 5-[2-[3-(trifluoromethyl)anilino]phenyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[2-[3-(trifluoromethyl)anilino]phenyl]-1,3,4-thiadiazol-2-amine
PubChem CID14951359
Molecular FormulaC15H11F3N4S
Molecular Weight336.34 g/mol
Exact Mass336.07
IUPAC Name5-[2-[3-(trifluoromethyl)anilino]phenyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(-c2ccccc2Nc2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C15H11F3N4S/c16-15(17,18)9-4-3-5-10(8-9)20-12-7-2-1-6-11(12)13-21-22-14(19)23-13/h1-8,20H,(H2,19,22)
InChIKeyYDSTXHKQKOVXIJ-UHFFFAOYSA-N
XLogP4.55
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[3-(trifluoromethyl)anilino]phenyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[2-[3-(trifluoromethyl)anilino]phenyl]-1,3,4-thiadiazol-2-amine (CID 14951359) is 5-[2-[3-(trifluoromethyl)anilino]phenyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[2-[3-(trifluoromethyl)anilino]phenyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[2-[3-(trifluoromethyl)anilino]phenyl]-1,3,4-thiadiazol-2-amine is Nc1nnc(-c2ccccc2Nc2cccc(C(F)(F)F)c2)s1.
What is the InChIKey of 5-[2-[3-(trifluoromethyl)anilino]phenyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is YDSTXHKQKOVXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4S/c16-15(17,18)9-4-3-5-10(8-9)20-12-7-2-1-6-11(12)13-21-22-14(19)23-13/h1-8,20H,(H2,19,22).
What are the key properties of 5-[2-[3-(trifluoromethyl)anilino]phenyl]-1,3,4-thiadiazol-2-amine?
5-[2-[3-(trifluoromethyl)anilino]phenyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 336.34 g/mol, XLogP of 4.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3-(trifluoromethyl)anilino]phenyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 14951359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).