1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]-6-(trifluoromethyl)pyridin-2-one

C10H9F3N4OS — CID 81319879

IUPAC1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]-6-(trifluoromethyl)pyridin-2-one
SMILESCNc1nnc(Cn2c(C(F)(F)F)cccc2=O)s1
InChIInChI=1S/C10H9F3N4OS/c1-14-9-16-15-7(19-9)5-17-6(10(11,12)13)3-2-4-8(17)18/h2-4H,5H2,1H3,(H,14,16)
InChIKeyWDOAWBAWMRIBNM-UHFFFAOYSA-N
MW290.27 g/mol
LogP1.81
Rot. Bonds3

About 1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]-6-(trifluoromethyl)pyridin-2-one

1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]-6-(trifluoromethyl)pyridin-2-one (PubChem CID 81319879) has the molecular formula C10H9F3N4OS and a molecular weight of 290.27 g/mol. Its IUPAC name is 1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]-6-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]-6-(trifluoromethyl)pyridin-2-one
PubChem CID81319879
Molecular FormulaC10H9F3N4OS
Molecular Weight290.27 g/mol
Exact Mass290.04
IUPAC Name1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]-6-(trifluoromethyl)pyridin-2-one
SMILESCNc1nnc(Cn2c(C(F)(F)F)cccc2=O)s1
InChIInChI=1S/C10H9F3N4OS/c1-14-9-16-15-7(19-9)5-17-6(10(11,12)13)3-2-4-8(17)18/h2-4H,5H2,1H3,(H,14,16)
InChIKeyWDOAWBAWMRIBNM-UHFFFAOYSA-N
XLogP1.81
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]-6-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]-6-(trifluoromethyl)pyridin-2-one (CID 81319879) is 1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]-6-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]-6-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]-6-(trifluoromethyl)pyridin-2-one is CNc1nnc(Cn2c(C(F)(F)F)cccc2=O)s1.
What is the InChIKey of 1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]-6-(trifluoromethyl)pyridin-2-one?
The InChIKey is WDOAWBAWMRIBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N4OS/c1-14-9-16-15-7(19-9)5-17-6(10(11,12)13)3-2-4-8(17)18/h2-4H,5H2,1H3,(H,14,16).
What are the key properties of 1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]-6-(trifluoromethyl)pyridin-2-one?
1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]-6-(trifluoromethyl)pyridin-2-one has a molecular weight of 290.27 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]-6-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 81319879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).