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

C15H21N3OS — CID 82526675

IUPAC3-[2-(ethylamino)-1,3-thiazol-4-yl]-1-pentylpyridin-2-one
SMILESCCCCCn1cccc(-c2csc(NCC)n2)c1=O
InChIInChI=1S/C15H21N3OS/c1-3-5-6-9-18-10-7-8-12(14(18)19)13-11-20-15(17-13)16-4-2/h7-8,10-11H,3-6,9H2,1-2H3,(H,16,17)
InChIKeyBDLAVBIQBWHFEG-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.59
Rot. Bonds7

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

3-[2-(ethylamino)-1,3-thiazol-4-yl]-1-pentylpyridin-2-one (PubChem CID 82526675) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is 3-[2-(ethylamino)-1,3-thiazol-4-yl]-1-pentylpyridin-2-one.

Molecular Properties

Compound Name3-[2-(ethylamino)-1,3-thiazol-4-yl]-1-pentylpyridin-2-one
PubChem CID82526675
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name3-[2-(ethylamino)-1,3-thiazol-4-yl]-1-pentylpyridin-2-one
SMILESCCCCCn1cccc(-c2csc(NCC)n2)c1=O
InChIInChI=1S/C15H21N3OS/c1-3-5-6-9-18-10-7-8-12(14(18)19)13-11-20-15(17-13)16-4-2/h7-8,10-11H,3-6,9H2,1-2H3,(H,16,17)
InChIKeyBDLAVBIQBWHFEG-UHFFFAOYSA-N
XLogP3.59
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(3-methoxypropyl)pyridin-2-one
CID 82526345
3-[2-(ethylamino)-1,3-thiazol-4-yl]-1-(2-methoxyethyl)pyridin-2-one
CID 82526495
3-[5-(methylamino)-1,3,4-thiadiazol-2-yl]-1-pentylpyridin-2-one
CID 82526681
3-[2-(ethylamino)-1,3-thiazol-4-yl]-1-(2-methoxyethyl)-6-methylpyridin-2-one
CID 82524772
4-[2-(ethylamino)-1,3-thiazol-4-yl]-6-methyl-2-propylpyridazin-3-one
CID 82442840
3-[2-(methylamino)-1,3-thiazol-4-yl]-1-propan-2-ylpyridin-2-one
CID 82527106
3-iodo-1-pentylpyridin-2-one
CID 79785003
3-amino-1-pentylpyridin-2-one
CID 62102446
3-bromo-1-dodecylpyridin-2-one
CID 114761270
1-pentyl-3-(sulfanylmethyl)pyridin-2-one
CID 82526701
N-hexyl-4-(1H-indol-3-yl)-1,3-thiazol-2-amine
CID 45034189
1-(2-methoxyethyl)-3-[5-(propylamino)-1,3,4-thiadiazol-2-yl]pyridin-2-one
CID 82526502

Frequently Asked Questions

What is the IUPAC name of 3-[2-(ethylamino)-1,3-thiazol-4-yl]-1-pentylpyridin-2-one?
The IUPAC name of 3-[2-(ethylamino)-1,3-thiazol-4-yl]-1-pentylpyridin-2-one (CID 82526675) is 3-[2-(ethylamino)-1,3-thiazol-4-yl]-1-pentylpyridin-2-one.
What is the SMILES notation for 3-[2-(ethylamino)-1,3-thiazol-4-yl]-1-pentylpyridin-2-one?
The canonical SMILES for 3-[2-(ethylamino)-1,3-thiazol-4-yl]-1-pentylpyridin-2-one is CCCCCn1cccc(-c2csc(NCC)n2)c1=O.
What is the InChIKey of 3-[2-(ethylamino)-1,3-thiazol-4-yl]-1-pentylpyridin-2-one?
The InChIKey is BDLAVBIQBWHFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-3-5-6-9-18-10-7-8-12(14(18)19)13-11-20-15(17-13)16-4-2/h7-8,10-11H,3-6,9H2,1-2H3,(H,16,17).
What are the key properties of 3-[2-(ethylamino)-1,3-thiazol-4-yl]-1-pentylpyridin-2-one?
3-[2-(ethylamino)-1,3-thiazol-4-yl]-1-pentylpyridin-2-one has a molecular weight of 291.42 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(ethylamino)-1,3-thiazol-4-yl]-1-pentylpyridin-2-one is sourced from PubChem (CID 82526675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).