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

C9H7F3N4OS — CID 81318799

IUPAC1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-6-(trifluoromethyl)pyridin-2-one
SMILESNc1nnc(Cn2c(C(F)(F)F)cccc2=O)s1
InChIInChI=1S/C9H7F3N4OS/c10-9(11,12)5-2-1-3-7(17)16(5)4-6-14-15-8(13)18-6/h1-3H,4H2,(H2,13,15)
InChIKeyZGWURHJYRATYAV-UHFFFAOYSA-N
MW276.24 g/mol
LogP1.35
Rot. Bonds2

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

1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-6-(trifluoromethyl)pyridin-2-one (PubChem CID 81318799) has the molecular formula C9H7F3N4OS and a molecular weight of 276.24 g/mol. Its IUPAC name is 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-6-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-6-(trifluoromethyl)pyridin-2-one
PubChem CID81318799
Molecular FormulaC9H7F3N4OS
Molecular Weight276.24 g/mol
Exact Mass276.03
IUPAC Name1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-6-(trifluoromethyl)pyridin-2-one
SMILESNc1nnc(Cn2c(C(F)(F)F)cccc2=O)s1
InChIInChI=1S/C9H7F3N4OS/c10-9(11,12)5-2-1-3-7(17)16(5)4-6-14-15-8(13)18-6/h1-3H,4H2,(H2,13,15)
InChIKeyZGWURHJYRATYAV-UHFFFAOYSA-N
XLogP1.35
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.24
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-6-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-6-(trifluoromethyl)pyridin-2-one (CID 81318799) is 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-6-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-6-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-6-(trifluoromethyl)pyridin-2-one is Nc1nnc(Cn2c(C(F)(F)F)cccc2=O)s1.
What is the InChIKey of 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-6-(trifluoromethyl)pyridin-2-one?
The InChIKey is ZGWURHJYRATYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N4OS/c10-9(11,12)5-2-1-3-7(17)16(5)4-6-14-15-8(13)18-6/h1-3H,4H2,(H2,13,15).
What are the key properties of 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-6-(trifluoromethyl)pyridin-2-one?
1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-6-(trifluoromethyl)pyridin-2-one has a molecular weight of 276.24 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-6-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 81318799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).