1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-3-methylpyridin-2-one

C11H14N4OS — CID 55159380

IUPAC1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-3-methylpyridin-2-one
SMILESCCNc1snnc1Cn1cccc(C)c1=O
InChIInChI=1S/C11H14N4OS/c1-3-12-10-9(13-14-17-10)7-15-6-4-5-8(2)11(15)16/h4-6,12H,3,7H2,1-2H3
InChIKeyJGBMNCRAXKOIAP-UHFFFAOYSA-N
MW250.33 g/mol
LogP1.49
Rot. Bonds4

About 1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-3-methylpyridin-2-one

1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-3-methylpyridin-2-one (PubChem CID 55159380) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is 1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-3-methylpyridin-2-one.

Molecular Properties

Compound Name1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-3-methylpyridin-2-one
PubChem CID55159380
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC Name1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-3-methylpyridin-2-one
SMILESCCNc1snnc1Cn1cccc(C)c1=O
InChIInChI=1S/C11H14N4OS/c1-3-12-10-9(13-14-17-10)7-15-6-4-5-8(2)11(15)16/h4-6,12H,3,7H2,1-2H3
InChIKeyJGBMNCRAXKOIAP-UHFFFAOYSA-N
XLogP1.49
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 51.49
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-(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
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-Methyl-4-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrazine-2,3-dione
CID 55157395
2-[[5-(ethylamino)thiadiazol-4-yl]methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione
CID 55168721
3-[[5-(Ethylamino)thiadiazol-4-yl]methyl]-1-methylpyrimidine-2,4-dione
CID 55239762

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-3-methylpyridin-2-one?
The IUPAC name of 1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-3-methylpyridin-2-one (CID 55159380) is 1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-3-methylpyridin-2-one.
What is the SMILES notation for 1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-3-methylpyridin-2-one?
The canonical SMILES for 1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-3-methylpyridin-2-one is CCNc1snnc1Cn1cccc(C)c1=O.
What is the InChIKey of 1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-3-methylpyridin-2-one?
The InChIKey is JGBMNCRAXKOIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS/c1-3-12-10-9(13-14-17-10)7-15-6-4-5-8(2)11(15)16/h4-6,12H,3,7H2,1-2H3.
What are the key properties of 1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-3-methylpyridin-2-one?
1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-3-methylpyridin-2-one has a molecular weight of 250.33 g/mol, XLogP of 1.49, 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]-3-methylpyridin-2-one is sourced from PubChem (CID 55159380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).