1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-5-(trifluoromethyl)pyridin-2-one

C11H11F3N4OS — CID 63280256

IUPAC1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-5-(trifluoromethyl)pyridin-2-one
SMILESCCNc1snnc1Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C11H11F3N4OS/c1-2-15-10-8(16-17-20-10)6-18-5-7(11(12,13)14)3-4-9(18)19/h3-5,15H,2,6H2,1H3
InChIKeyFKGFCXCFYWIXQB-UHFFFAOYSA-N
MW304.30 g/mol
LogP2.20
Rot. Bonds4

About 1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-5-(trifluoromethyl)pyridin-2-one

1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-5-(trifluoromethyl)pyridin-2-one (PubChem CID 63280256) has the molecular formula C11H11F3N4OS and a molecular weight of 304.30 g/mol. Its IUPAC name is 1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-5-(trifluoromethyl)pyridin-2-one
PubChem CID63280256
Molecular FormulaC11H11F3N4OS
Molecular Weight304.30 g/mol
Exact Mass304.06
IUPAC Name1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-5-(trifluoromethyl)pyridin-2-one
SMILESCCNc1snnc1Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C11H11F3N4OS/c1-2-15-10-8(16-17-20-10)6-18-5-7(11(12,13)14)3-4-9(18)19/h3-5,15H,2,6H2,1H3
InChIKeyFKGFCXCFYWIXQB-UHFFFAOYSA-N
XLogP2.20
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[5-(Methylamino)thiadiazol-4-yl]methyl]-5-(trifluoromethyl)pyridin-2-one
CID 55171482
1-[(5-Aminothiadiazol-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-one
CID 63280211
1-[[5-(Propylamino)thiadiazol-4-yl]methyl]-5-(trifluoromethyl)pyridin-2-one
CID 63280257
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-(Ethylamino)thiadiazol-4-yl]methyl]-6-(trifluoromethyl)pyridin-2-one
CID 81318910
1-[[5-(Methylamino)thiadiazol-4-yl]methyl]-6-(trifluoromethyl)pyridin-2-one
CID 81319668
6-Methyl-2-[[5-(propylamino)thiadiazol-4-yl]methyl]pyridazin-3-one
CID 55155114
1-[[5-(Ethylamino)thiadiazol-4-yl]methyl]-3-methylpyridin-2-one
CID 55159380
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

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-5-(trifluoromethyl)pyridin-2-one (CID 63280256) is 1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-5-(trifluoromethyl)pyridin-2-one is CCNc1snnc1Cn1cc(C(F)(F)F)ccc1=O.
What is the InChIKey of 1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is FKGFCXCFYWIXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4OS/c1-2-15-10-8(16-17-20-10)6-18-5-7(11(12,13)14)3-4-9(18)19/h3-5,15H,2,6H2,1H3.
What are the key properties of 1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-5-(trifluoromethyl)pyridin-2-one?
1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 304.30 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 63280256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).