3-[2-(ethylamino)-1,3-thiazol-4-yl]-1-(3-methoxypropyl)pyridin-2-one

C14H19N3O2S — CID 82526345

IUPAC3-[2-(ethylamino)-1,3-thiazol-4-yl]-1-(3-methoxypropyl)pyridin-2-one
SMILESCCNc1nc(-c2cccn(CCCOC)c2=O)cs1
InChIInChI=1S/C14H19N3O2S/c1-3-15-14-16-12(10-20-14)11-6-4-7-17(13(11)18)8-5-9-19-2/h4,6-7,10H,3,5,8-9H2,1-2H3,(H,15,16)
InChIKeyITXZJAPVHSGBGA-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.44
Rot. Bonds7

About 3-[2-(ethylamino)-1,3-thiazol-4-yl]-1-(3-methoxypropyl)pyridin-2-one

3-[2-(ethylamino)-1,3-thiazol-4-yl]-1-(3-methoxypropyl)pyridin-2-one (PubChem CID 82526345) 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-(3-methoxypropyl)pyridin-2-one.

Molecular Properties

Compound Name3-[2-(ethylamino)-1,3-thiazol-4-yl]-1-(3-methoxypropyl)pyridin-2-one
PubChem CID82526345
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name3-[2-(ethylamino)-1,3-thiazol-4-yl]-1-(3-methoxypropyl)pyridin-2-one
SMILESCCNc1nc(-c2cccn(CCCOC)c2=O)cs1
InChIInChI=1S/C14H19N3O2S/c1-3-15-14-16-12(10-20-14)11-6-4-7-17(13(11)18)8-5-9-19-2/h4,6-7,10H,3,5,8-9H2,1-2H3,(H,15,16)
InChIKeyITXZJAPVHSGBGA-UHFFFAOYSA-N
XLogP2.44
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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-pentylpyridin-2-one
CID 82526675
3-[2-(ethylamino)-1,3-thiazol-4-yl]-1-(2-methoxyethyl)-6-methylpyridin-2-one
CID 82524772
1-(2-methoxyethyl)-3-[5-(propylamino)-1,3,4-thiadiazol-2-yl]pyridin-2-one
CID 82526502
1-(2-methoxyethyl)-3-[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]pyridin-2-one
CID 82526499
3-(ethylaminomethyl)-1-(3-methoxypropyl)pyridin-2-one
CID 82526386
N-(2-methoxyethyl)-4-naphthalen-1-yl-1,3-thiazol-2-amine
CID 8962162
4-[2-(ethylamino)-1,3-thiazol-4-yl]-6-methyl-2-propylpyridazin-3-one
CID 82442840
3-(chloromethyl)-1-(3-methoxypropyl)pyridin-2-one
CID 82526375
1-cyclopropyl-3-[2-(2-methoxyethylamino)-1,3-thiazol-4-yl]-6-methylpyridin-2-one
CID 82525166
3-[2-(methylamino)-1,3-thiazol-4-yl]-1-propan-2-ylpyridin-2-one
CID 82527106
2-[2-[1-(3-methoxypropyl)-2-oxo-3-pyridinyl]ethyl]isoindole-1,3-dione
CID 164570831

Frequently Asked Questions

What is the IUPAC name of 3-[2-(ethylamino)-1,3-thiazol-4-yl]-1-(3-methoxypropyl)pyridin-2-one?
The IUPAC name of 3-[2-(ethylamino)-1,3-thiazol-4-yl]-1-(3-methoxypropyl)pyridin-2-one (CID 82526345) is 3-[2-(ethylamino)-1,3-thiazol-4-yl]-1-(3-methoxypropyl)pyridin-2-one.
What is the SMILES notation for 3-[2-(ethylamino)-1,3-thiazol-4-yl]-1-(3-methoxypropyl)pyridin-2-one?
The canonical SMILES for 3-[2-(ethylamino)-1,3-thiazol-4-yl]-1-(3-methoxypropyl)pyridin-2-one is CCNc1nc(-c2cccn(CCCOC)c2=O)cs1.
What is the InChIKey of 3-[2-(ethylamino)-1,3-thiazol-4-yl]-1-(3-methoxypropyl)pyridin-2-one?
The InChIKey is ITXZJAPVHSGBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-3-15-14-16-12(10-20-14)11-6-4-7-17(13(11)18)8-5-9-19-2/h4,6-7,10H,3,5,8-9H2,1-2H3,(H,15,16).
What are the key properties of 3-[2-(ethylamino)-1,3-thiazol-4-yl]-1-(3-methoxypropyl)pyridin-2-one?
3-[2-(ethylamino)-1,3-thiazol-4-yl]-1-(3-methoxypropyl)pyridin-2-one has a molecular weight of 293.39 g/mol, XLogP of 2.44, 7 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-(3-methoxypropyl)pyridin-2-one is sourced from PubChem (CID 82526345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).