3-[2-(ethylamino)-1,3-thiazol-4-yl]-1-(2-methoxyethyl)-6-methylpyridin-2-one

C14H19N3O2S — CID 82524772

IUPAC3-[2-(ethylamino)-1,3-thiazol-4-yl]-1-(2-methoxyethyl)-6-methylpyridin-2-one
SMILESCCNc1nc(-c2ccc(C)n(CCOC)c2=O)cs1
InChIInChI=1S/C14H19N3O2S/c1-4-15-14-16-12(9-20-14)11-6-5-10(2)17(13(11)18)7-8-19-3/h5-6,9H,4,7-8H2,1-3H3,(H,15,16)
InChIKeyTUNSGGWFDITFOC-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.36
Rot. Bonds6

About 3-[2-(ethylamino)-1,3-thiazol-4-yl]-1-(2-methoxyethyl)-6-methylpyridin-2-one

3-[2-(ethylamino)-1,3-thiazol-4-yl]-1-(2-methoxyethyl)-6-methylpyridin-2-one (PubChem CID 82524772) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 3-[2-(ethylamino)-1,3-thiazol-4-yl]-1-(2-methoxyethyl)-6-methylpyridin-2-one.

Molecular Properties

Compound Name3-[2-(ethylamino)-1,3-thiazol-4-yl]-1-(2-methoxyethyl)-6-methylpyridin-2-one
PubChem CID82524772
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name3-[2-(ethylamino)-1,3-thiazol-4-yl]-1-(2-methoxyethyl)-6-methylpyridin-2-one
SMILESCCNc1nc(-c2ccc(C)n(CCOC)c2=O)cs1
InChIInChI=1S/C14H19N3O2S/c1-4-15-14-16-12(9-20-14)11-6-5-10(2)17(13(11)18)7-8-19-3/h5-6,9H,4,7-8H2,1-3H3,(H,15,16)
InChIKeyTUNSGGWFDITFOC-UHFFFAOYSA-N
XLogP2.36
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-(ethylamino)-1,3-thiazol-4-yl]-1-(2-methoxyethyl)pyridin-2-one
CID 82526495
3-[2-(ethylamino)-1,3-thiazol-4-yl]-1-(3-methoxypropyl)pyridin-2-one
CID 82526345
1-cyclopropyl-3-[2-(2-methoxyethylamino)-1,3-thiazol-4-yl]-6-methylpyridin-2-one
CID 82525166
1-ethyl-6-methyl-3-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]pyridin-2-one
CID 82525387
4-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-N-propyl-1,3-thiazol-2-amine
CID 8962711
3-(2-amino-1,3-thiazol-4-yl)-6-methyl-1-propylpyridin-2-one
CID 82525318
3-(2-amino-1,3-thiazol-4-yl)-1-(2-methoxyethyl)-6-propan-2-ylpyridin-2-one
CID 82524073
4-(2,5-dimethyl-1-propylpyrrol-3-yl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine
CID 8961977
1-cyclopropyl-6-methyl-3-[2-(propylamino)-1,3-thiazol-4-yl]pyridin-2-one
CID 82525170
3-[2-(ethylamino)-1,3-thiazol-4-yl]-1-pentylpyridin-2-one
CID 82526675
4-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-N-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 3556747
4-[2-(ethylamino)-1,3-thiazol-4-yl]-6-methyl-2-propylpyridazin-3-one
CID 82442840

Frequently Asked Questions

What is the IUPAC name of 3-[2-(ethylamino)-1,3-thiazol-4-yl]-1-(2-methoxyethyl)-6-methylpyridin-2-one?
The IUPAC name of 3-[2-(ethylamino)-1,3-thiazol-4-yl]-1-(2-methoxyethyl)-6-methylpyridin-2-one (CID 82524772) is 3-[2-(ethylamino)-1,3-thiazol-4-yl]-1-(2-methoxyethyl)-6-methylpyridin-2-one.
What is the SMILES notation for 3-[2-(ethylamino)-1,3-thiazol-4-yl]-1-(2-methoxyethyl)-6-methylpyridin-2-one?
The canonical SMILES for 3-[2-(ethylamino)-1,3-thiazol-4-yl]-1-(2-methoxyethyl)-6-methylpyridin-2-one is CCNc1nc(-c2ccc(C)n(CCOC)c2=O)cs1.
What is the InChIKey of 3-[2-(ethylamino)-1,3-thiazol-4-yl]-1-(2-methoxyethyl)-6-methylpyridin-2-one?
The InChIKey is TUNSGGWFDITFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-4-15-14-16-12(9-20-14)11-6-5-10(2)17(13(11)18)7-8-19-3/h5-6,9H,4,7-8H2,1-3H3,(H,15,16).
What are the key properties of 3-[2-(ethylamino)-1,3-thiazol-4-yl]-1-(2-methoxyethyl)-6-methylpyridin-2-one?
3-[2-(ethylamino)-1,3-thiazol-4-yl]-1-(2-methoxyethyl)-6-methylpyridin-2-one has a molecular weight of 293.39 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(ethylamino)-1,3-thiazol-4-yl]-1-(2-methoxyethyl)-6-methylpyridin-2-one is sourced from PubChem (CID 82524772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).