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

C15H10F4N4S — CID 133442225

IUPACN-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
SMILESFc1ccc(CNc2nnc(-c3ccccn3)s2)c(C(F)(F)F)c1
InChIInChI=1S/C15H10F4N4S/c16-10-5-4-9(11(7-10)15(17,18)19)8-21-14-23-22-13(24-14)12-3-1-2-6-20-12/h1-7H,8H2,(H,21,23)
InChIKeyPQLFIGFGVQVLAZ-UHFFFAOYSA-N
MW354.33 g/mol
LogP4.37
Rot. Bonds4

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

N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine (PubChem CID 133442225) has the molecular formula C15H10F4N4S and a molecular weight of 354.33 g/mol. Its IUPAC name is N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
PubChem CID133442225
Molecular FormulaC15H10F4N4S
Molecular Weight354.33 g/mol
Exact Mass354.06
IUPAC NameN-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
SMILESFc1ccc(CNc2nnc(-c3ccccn3)s2)c(C(F)(F)F)c1
InChIInChI=1S/C15H10F4N4S/c16-10-5-4-9(11(7-10)15(17,18)19)8-21-14-23-22-13(24-14)12-3-1-2-6-20-12/h1-7H,8H2,(H,21,23)
InChIKeyPQLFIGFGVQVLAZ-UHFFFAOYSA-N
XLogP4.37
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1,3,4-thiadiazol-2-amine
CID 86782852
N-[(3-methylphenyl)methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 133468186
N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 133442284
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 75505627
N,N-dimethyl-N'-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 133479843
5-bromo-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3,4-thiadiazol-2-amine
CID 64624741
3-[[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]methyl]pentan-3-ol
CID 133442973
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 133442121
N-(2-methyl-2-methylsulfonylpropyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 133455175
2-fluoro-5-pyridin-2-yl-1,3,4-thiadiazole
CID 135397065
2,6-dibromo-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]aniline
CID 107597623
1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 78921086

Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine (CID 133442225) is N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine is Fc1ccc(CNc2nnc(-c3ccccn3)s2)c(C(F)(F)F)c1.
What is the InChIKey of N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine?
The InChIKey is PQLFIGFGVQVLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F4N4S/c16-10-5-4-9(11(7-10)15(17,18)19)8-21-14-23-22-13(24-14)12-3-1-2-6-20-12/h1-7H,8H2,(H,21,23).
What are the key properties of N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine?
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine has a molecular weight of 354.33 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 133442225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).