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

C8H11NO2S — CID 112642366

IUPAC1-ethoxy-3-(1,3-thiazol-5-yl)propan-2-one
SMILESCCOCC(=O)Cc1cncs1
InChIInChI=1S/C8H11NO2S/c1-2-11-5-7(10)3-8-4-9-6-12-8/h4,6H,2-3,5H2,1H3
InChIKeyBRWSAWIEANDCQA-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.29
Rot. Bonds5

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

1-ethoxy-3-(1,3-thiazol-5-yl)propan-2-one (PubChem CID 112642366) has the molecular formula C8H11NO2S and a molecular weight of 185.25 g/mol. Its IUPAC name is 1-ethoxy-3-(1,3-thiazol-5-yl)propan-2-one.

Molecular Properties

Compound Name1-ethoxy-3-(1,3-thiazol-5-yl)propan-2-one
PubChem CID112642366
Molecular FormulaC8H11NO2S
Molecular Weight185.25 g/mol
Exact Mass185.05
IUPAC Name1-ethoxy-3-(1,3-thiazol-5-yl)propan-2-one
SMILESCCOCC(=O)Cc1cncs1
InChIInChI=1S/C8H11NO2S/c1-2-11-5-7(10)3-8-4-9-6-12-8/h4,6H,2-3,5H2,1H3
InChIKeyBRWSAWIEANDCQA-UHFFFAOYSA-N
XLogP1.29
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,4-dimethyl-1-(1,3-thiazol-5-yl)pentan-2-one
CID 112642314
3-ethoxy-3-ethyl-1-(1,3-thiazol-5-yl)pentan-2-one
CID 116747279
3-ethyl-3-hydroxy-1-(1,3-thiazol-5-yl)pentan-2-one
CID 103446921
7-amino-5-ethyl-1-(1,3-thiazol-5-yl)heptan-2-one
CID 116578224
3-methoxy-1-(1,3-thiazol-5-yl)hexan-2-one
CID 116708185
4,6,6-trimethyl-1-(1,3-thiazol-5-yl)heptan-2-one
CID 115796009
1-(4-chlorophenyl)-3-(1,3-thiazol-5-yl)propan-2-one
CID 112642228
1-(2,2-dimethylcyclopropyl)-2-(1,3-thiazol-5-yl)ethanone
CID 107004005
3-(diethylamino)-3-ethyl-1-(1,3-thiazol-5-yl)pentan-2-one
CID 112642392
2-ethoxy-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 62759622
1-(1-methylcyclopropyl)-2-(1,3-thiazol-5-yl)ethanone
CID 112642434
1-pyridin-2-yl-3-(1,3-thiazol-5-yl)propan-2-one
CID 112642235

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-(1,3-thiazol-5-yl)propan-2-one?
The IUPAC name of 1-ethoxy-3-(1,3-thiazol-5-yl)propan-2-one (CID 112642366) is 1-ethoxy-3-(1,3-thiazol-5-yl)propan-2-one.
What is the SMILES notation for 1-ethoxy-3-(1,3-thiazol-5-yl)propan-2-one?
The canonical SMILES for 1-ethoxy-3-(1,3-thiazol-5-yl)propan-2-one is CCOCC(=O)Cc1cncs1.
What is the InChIKey of 1-ethoxy-3-(1,3-thiazol-5-yl)propan-2-one?
The InChIKey is BRWSAWIEANDCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S/c1-2-11-5-7(10)3-8-4-9-6-12-8/h4,6H,2-3,5H2,1H3.
What are the key properties of 1-ethoxy-3-(1,3-thiazol-5-yl)propan-2-one?
1-ethoxy-3-(1,3-thiazol-5-yl)propan-2-one has a molecular weight of 185.25 g/mol, XLogP of 1.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-(1,3-thiazol-5-yl)propan-2-one is sourced from PubChem (CID 112642366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).