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

C12H13F3N4OS — CID 81310736

IUPAC1-[[5-(propylamino)thiadiazol-4-yl]methyl]-6-(trifluoromethyl)pyridin-2-one
SMILESCCCNc1snnc1Cn1c(C(F)(F)F)cccc1=O
InChIInChI=1S/C12H13F3N4OS/c1-2-6-16-11-8(17-18-21-11)7-19-9(12(13,14)15)4-3-5-10(19)20/h3-5,16H,2,6-7H2,1H3
InChIKeyABQWIRZMMCOEMG-UHFFFAOYSA-N
MW318.32 g/mol
LogP2.59
Rot. Bonds5

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

1-[[5-(propylamino)thiadiazol-4-yl]methyl]-6-(trifluoromethyl)pyridin-2-one (PubChem CID 81310736) has the molecular formula C12H13F3N4OS and a molecular weight of 318.32 g/mol. Its IUPAC name is 1-[[5-(propylamino)thiadiazol-4-yl]methyl]-6-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[[5-(propylamino)thiadiazol-4-yl]methyl]-6-(trifluoromethyl)pyridin-2-one
PubChem CID81310736
Molecular FormulaC12H13F3N4OS
Molecular Weight318.32 g/mol
Exact Mass318.08
IUPAC Name1-[[5-(propylamino)thiadiazol-4-yl]methyl]-6-(trifluoromethyl)pyridin-2-one
SMILESCCCNc1snnc1Cn1c(C(F)(F)F)cccc1=O
InChIInChI=1S/C12H13F3N4OS/c1-2-6-16-11-8(17-18-21-11)7-19-9(12(13,14)15)4-3-5-10(19)20/h3-5,16H,2,6-7H2,1H3
InChIKeyABQWIRZMMCOEMG-UHFFFAOYSA-N
XLogP2.59
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 52.59
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-(Ethylamino)thiadiazol-4-yl]methyl]-5-(trifluoromethyl)pyridin-2-one
CID 63280256
1-[[5-(Propylamino)thiadiazol-4-yl]methyl]-5-(trifluoromethyl)pyridin-2-one
CID 63280257
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-Aminothiadiazol-4-yl)methyl]-6-(trifluoromethyl)pyridin-2-one
CID 81319538
1-[[5-(Methylamino)thiadiazol-4-yl]methyl]-6-(trifluoromethyl)pyridin-2-one
CID 81319668
3-[[5-(Ethylamino)thiadiazol-4-yl]methyl]-6-methylpyrimidin-4-one
CID 55044777
2-[[5-(ethylamino)thiadiazol-4-yl]methyl]-1H-pyridazine-3,6-dione
CID 55046242
1-[[5-(Methylamino)thiadiazol-4-yl]methyl]-5-nitropyridin-2-one
CID 55046625
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

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(propylamino)thiadiazol-4-yl]methyl]-6-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[[5-(propylamino)thiadiazol-4-yl]methyl]-6-(trifluoromethyl)pyridin-2-one (CID 81310736) is 1-[[5-(propylamino)thiadiazol-4-yl]methyl]-6-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[[5-(propylamino)thiadiazol-4-yl]methyl]-6-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[[5-(propylamino)thiadiazol-4-yl]methyl]-6-(trifluoromethyl)pyridin-2-one is CCCNc1snnc1Cn1c(C(F)(F)F)cccc1=O.
What is the InChIKey of 1-[[5-(propylamino)thiadiazol-4-yl]methyl]-6-(trifluoromethyl)pyridin-2-one?
The InChIKey is ABQWIRZMMCOEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N4OS/c1-2-6-16-11-8(17-18-21-11)7-19-9(12(13,14)15)4-3-5-10(19)20/h3-5,16H,2,6-7H2,1H3.
What are the key properties of 1-[[5-(propylamino)thiadiazol-4-yl]methyl]-6-(trifluoromethyl)pyridin-2-one?
1-[[5-(propylamino)thiadiazol-4-yl]methyl]-6-(trifluoromethyl)pyridin-2-one has a molecular weight of 318.32 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(propylamino)thiadiazol-4-yl]methyl]-6-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 81310736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).