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

C16H10F6N4S — CID 15544761

IUPAC(E)-5-methyl-1-[3-(trifluoromethyl)phenyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyridin-2-imine
SMILESCc1cc/c(=N\c2nnc(C(F)(F)F)s2)n(-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C16H10F6N4S/c1-9-5-6-12(23-14-25-24-13(27-14)16(20,21)22)26(8-9)11-4-2-3-10(7-11)15(17,18)19/h2-8H,1H3/b23-12+
InChIKeyRHQVXADYPCYTGP-FSJBWODESA-N
MW404.34 g/mol
LogP4.91
Rot. Bonds2

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

(E)-5-methyl-1-[3-(trifluoromethyl)phenyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyridin-2-imine (PubChem CID 15544761) has the molecular formula C16H10F6N4S and a molecular weight of 404.34 g/mol. Its IUPAC name is (E)-5-methyl-1-[3-(trifluoromethyl)phenyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyridin-2-imine.

Molecular Properties

Compound Name(E)-5-methyl-1-[3-(trifluoromethyl)phenyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyridin-2-imine
PubChem CID15544761
Molecular FormulaC16H10F6N4S
Molecular Weight404.34 g/mol
Exact Mass404.05
IUPAC Name(E)-5-methyl-1-[3-(trifluoromethyl)phenyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyridin-2-imine
SMILESCc1cc/c(=N\c2nnc(C(F)(F)F)s2)n(-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C16H10F6N4S/c1-9-5-6-12(23-14-25-24-13(27-14)16(20,21)22)26(8-9)11-4-2-3-10(7-11)15(17,18)19/h2-8H,1H3/b23-12+
InChIKeyRHQVXADYPCYTGP-FSJBWODESA-N
XLogP4.91
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.34
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (E)-5-methyl-1-[3-(trifluoromethyl)phenyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyridin-2-imine?
The IUPAC name of (E)-5-methyl-1-[3-(trifluoromethyl)phenyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyridin-2-imine (CID 15544761) is (E)-5-methyl-1-[3-(trifluoromethyl)phenyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyridin-2-imine.
What is the SMILES notation for (E)-5-methyl-1-[3-(trifluoromethyl)phenyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyridin-2-imine?
The canonical SMILES for (E)-5-methyl-1-[3-(trifluoromethyl)phenyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyridin-2-imine is Cc1cc/c(=N\c2nnc(C(F)(F)F)s2)n(-c2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of (E)-5-methyl-1-[3-(trifluoromethyl)phenyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyridin-2-imine?
The InChIKey is RHQVXADYPCYTGP-FSJBWODESA-N. The full InChI is InChI=1S/C16H10F6N4S/c1-9-5-6-12(23-14-25-24-13(27-14)16(20,21)22)26(8-9)11-4-2-3-10(7-11)15(17,18)19/h2-8H,1H3/b23-12+.
What are the key properties of (E)-5-methyl-1-[3-(trifluoromethyl)phenyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyridin-2-imine?
(E)-5-methyl-1-[3-(trifluoromethyl)phenyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyridin-2-imine has a molecular weight of 404.34 g/mol, XLogP of 4.91, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-methyl-1-[3-(trifluoromethyl)phenyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyridin-2-imine is sourced from PubChem (CID 15544761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).