5-pyridin-3-yl-N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine

C14H9F3N4S — CID 2803003

IUPAC5-pyridin-3-yl-N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine
SMILESFC(F)(F)c1cccc(Nc2nnc(-c3cccnc3)s2)c1
InChIInChI=1S/C14H9F3N4S/c15-14(16,17)10-4-1-5-11(7-10)19-13-21-20-12(22-13)9-3-2-6-18-8-9/h1-8H,(H,19,21)
InChIKeyJNTIXRRETDBVPT-UHFFFAOYSA-N
MW322.32 g/mol
LogP4.36
Rot. Bonds3

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

5-pyridin-3-yl-N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine (PubChem CID 2803003) has the molecular formula C14H9F3N4S and a molecular weight of 322.32 g/mol. Its IUPAC name is 5-pyridin-3-yl-N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-pyridin-3-yl-N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine
PubChem CID2803003
Molecular FormulaC14H9F3N4S
Molecular Weight322.32 g/mol
Exact Mass322.05
IUPAC Name5-pyridin-3-yl-N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine
SMILESFC(F)(F)c1cccc(Nc2nnc(-c3cccnc3)s2)c1
InChIInChI=1S/C14H9F3N4S/c15-14(16,17)10-4-1-5-11(7-10)19-13-21-20-12(22-13)9-3-2-6-18-8-9/h1-8H,(H,19,21)
InChIKeyJNTIXRRETDBVPT-UHFFFAOYSA-N
XLogP4.36
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-pyridin-3-yl-N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-pyridin-3-yl-N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine (CID 2803003) is 5-pyridin-3-yl-N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-pyridin-3-yl-N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-pyridin-3-yl-N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine is FC(F)(F)c1cccc(Nc2nnc(-c3cccnc3)s2)c1.
What is the InChIKey of 5-pyridin-3-yl-N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is JNTIXRRETDBVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N4S/c15-14(16,17)10-4-1-5-11(7-10)19-13-21-20-12(22-13)9-3-2-6-18-8-9/h1-8H,(H,19,21).
What are the key properties of 5-pyridin-3-yl-N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine?
5-pyridin-3-yl-N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 322.32 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-3-yl-N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 2803003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).