1-[(5-aminothiadiazol-4-yl)methyl]-6-(trifluoromethyl)pyridin-2-one

C9H7F3N4OS — CID 81319538

IUPAC1-[(5-aminothiadiazol-4-yl)methyl]-6-(trifluoromethyl)pyridin-2-one
SMILESNc1snnc1Cn1c(C(F)(F)F)cccc1=O
InChIInChI=1S/C9H7F3N4OS/c10-9(11,12)6-2-1-3-7(17)16(6)4-5-8(13)18-15-14-5/h1-3H,4,13H2
InChIKeyYHZYOTBUIBNWQY-UHFFFAOYSA-N
MW276.24 g/mol
LogP1.35
Rot. Bonds2

About 1-[(5-aminothiadiazol-4-yl)methyl]-6-(trifluoromethyl)pyridin-2-one

1-[(5-aminothiadiazol-4-yl)methyl]-6-(trifluoromethyl)pyridin-2-one (PubChem CID 81319538) has the molecular formula C9H7F3N4OS and a molecular weight of 276.24 g/mol. Its IUPAC name is 1-[(5-aminothiadiazol-4-yl)methyl]-6-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[(5-aminothiadiazol-4-yl)methyl]-6-(trifluoromethyl)pyridin-2-one
PubChem CID81319538
Molecular FormulaC9H7F3N4OS
Molecular Weight276.24 g/mol
Exact Mass276.03
IUPAC Name1-[(5-aminothiadiazol-4-yl)methyl]-6-(trifluoromethyl)pyridin-2-one
SMILESNc1snnc1Cn1c(C(F)(F)F)cccc1=O
InChIInChI=1S/C9H7F3N4OS/c10-9(11,12)6-2-1-3-7(17)16(6)4-5-8(13)18-15-14-5/h1-3H,4,13H2
InChIKeyYHZYOTBUIBNWQY-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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Related Compounds

1-[(5-Aminothiadiazol-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-one
CID 63280211
1-[(5-Hydrazinylthiadiazol-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-one
CID 63280430
1-[[5-(Propylamino)thiadiazol-4-yl]methyl]-6-(trifluoromethyl)pyridin-2-one
CID 81310736
1-[(5-Hydrazinylthiadiazol-4-yl)methyl]-6-(trifluoromethyl)pyridin-2-one
CID 81318690
1-[[5-(Ethylamino)thiadiazol-4-yl]methyl]-6-(trifluoromethyl)pyridin-2-one
CID 81318910
1-[(5-Chlorothiadiazol-4-yl)methyl]-6-(trifluoromethyl)pyridin-2-one
CID 81319401
1-[[5-(Methylamino)thiadiazol-4-yl]methyl]-6-(trifluoromethyl)pyridin-2-one
CID 81319668
6-Methyl-1-[[5-(methylamino)thiadiazol-4-yl]methyl]pyridin-2-one
CID 62193449
1-[[5-(Ethylamino)thiadiazol-4-yl]methyl]-6-methylpyridin-2-one
CID 62193450
6-Methyl-1-[[5-(propylamino)thiadiazol-4-yl]methyl]pyridin-2-one
CID 62193451
1-[(5-Aminothiadiazol-4-yl)methyl]-3-nitropyridin-2-one
CID 62195226
1-[(5-Aminothiadiazol-4-yl)methyl]-5-bromopyridin-2-one
CID 62207133

Frequently Asked Questions

What is the IUPAC name of 1-[(5-aminothiadiazol-4-yl)methyl]-6-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[(5-aminothiadiazol-4-yl)methyl]-6-(trifluoromethyl)pyridin-2-one (CID 81319538) is 1-[(5-aminothiadiazol-4-yl)methyl]-6-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[(5-aminothiadiazol-4-yl)methyl]-6-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[(5-aminothiadiazol-4-yl)methyl]-6-(trifluoromethyl)pyridin-2-one is Nc1snnc1Cn1c(C(F)(F)F)cccc1=O.
What is the InChIKey of 1-[(5-aminothiadiazol-4-yl)methyl]-6-(trifluoromethyl)pyridin-2-one?
The InChIKey is YHZYOTBUIBNWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N4OS/c10-9(11,12)6-2-1-3-7(17)16(6)4-5-8(13)18-15-14-5/h1-3H,4,13H2.
What are the key properties of 1-[(5-aminothiadiazol-4-yl)methyl]-6-(trifluoromethyl)pyridin-2-one?
1-[(5-aminothiadiazol-4-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-aminothiadiazol-4-yl)methyl]-6-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 81319538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).