3-ethoxy-3-ethyl-1-(1,3-thiazol-5-yl)pentan-2-one

C12H19NO2S — CID 116747279

IUPAC3-ethoxy-3-ethyl-1-(1,3-thiazol-5-yl)pentan-2-one
SMILESCCOC(CC)(CC)C(=O)Cc1cncs1
InChIInChI=1S/C12H19NO2S/c1-4-12(5-2,15-6-3)11(14)7-10-8-13-9-16-10/h8-9H,4-7H2,1-3H3
InChIKeyYUZGMGKFSOWYCI-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.85
Rot. Bonds7

About 3-ethoxy-3-ethyl-1-(1,3-thiazol-5-yl)pentan-2-one

3-ethoxy-3-ethyl-1-(1,3-thiazol-5-yl)pentan-2-one (PubChem CID 116747279) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is 3-ethoxy-3-ethyl-1-(1,3-thiazol-5-yl)pentan-2-one.

Molecular Properties

Compound Name3-ethoxy-3-ethyl-1-(1,3-thiazol-5-yl)pentan-2-one
PubChem CID116747279
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Name3-ethoxy-3-ethyl-1-(1,3-thiazol-5-yl)pentan-2-one
SMILESCCOC(CC)(CC)C(=O)Cc1cncs1
InChIInChI=1S/C12H19NO2S/c1-4-12(5-2,15-6-3)11(14)7-10-8-13-9-16-10/h8-9H,4-7H2,1-3H3
InChIKeyYUZGMGKFSOWYCI-UHFFFAOYSA-N
XLogP2.85
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-3-hydroxy-1-(1,3-thiazol-5-yl)pentan-2-one
CID 103446921
3-(diethylamino)-3-ethyl-1-(1,3-thiazol-5-yl)pentan-2-one
CID 112642392
1-ethoxy-3-(1,3-thiazol-5-yl)propan-2-one
CID 112642366
4,4-dimethyl-1-(1,3-thiazol-5-yl)pentan-2-one
CID 112642314
3-methyl-3-piperidin-1-yl-1-(1,3-thiazol-5-yl)butan-2-one
CID 112642383
3-methoxy-1-(1,3-thiazol-5-yl)hexan-2-one
CID 116708185
1-(1-methylcyclopropyl)-2-(1,3-thiazol-5-yl)ethanone
CID 112642434
1,2-bis(1,3-thiazol-5-yl)ethanone
CID 112642435
5-[(2-methylpropan-2-yl)oxymethyl]-1,3-thiazole
CID 59305650
2-ethyl-2-(1,3-thiazol-5-ylmethyl)propane-1,3-diol
CID 112645394
ethyl 2-(1,3-thiazol-5-ylmethylamino)pentanoate
CID 104589369
1-(4-tert-butylcyclohexyl)-2-(1,3-thiazol-5-yl)ethanone
CID 112642355

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-3-ethyl-1-(1,3-thiazol-5-yl)pentan-2-one?
The IUPAC name of 3-ethoxy-3-ethyl-1-(1,3-thiazol-5-yl)pentan-2-one (CID 116747279) is 3-ethoxy-3-ethyl-1-(1,3-thiazol-5-yl)pentan-2-one.
What is the SMILES notation for 3-ethoxy-3-ethyl-1-(1,3-thiazol-5-yl)pentan-2-one?
The canonical SMILES for 3-ethoxy-3-ethyl-1-(1,3-thiazol-5-yl)pentan-2-one is CCOC(CC)(CC)C(=O)Cc1cncs1.
What is the InChIKey of 3-ethoxy-3-ethyl-1-(1,3-thiazol-5-yl)pentan-2-one?
The InChIKey is YUZGMGKFSOWYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-4-12(5-2,15-6-3)11(14)7-10-8-13-9-16-10/h8-9H,4-7H2,1-3H3.
What are the key properties of 3-ethoxy-3-ethyl-1-(1,3-thiazol-5-yl)pentan-2-one?
3-ethoxy-3-ethyl-1-(1,3-thiazol-5-yl)pentan-2-one has a molecular weight of 241.36 g/mol, XLogP of 2.85, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-3-ethyl-1-(1,3-thiazol-5-yl)pentan-2-one is sourced from PubChem (CID 116747279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).