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

C10H15NO2S — CID 103447076

IUPAC3-ethyl-3-hydroxy-1-(1,3-thiazol-2-yl)pentan-2-one
SMILESCCC(O)(CC)C(=O)Cc1nccs1
InChIInChI=1S/C10H15NO2S/c1-3-10(13,4-2)8(12)7-9-11-5-6-14-9/h5-6,13H,3-4,7H2,1-2H3
InChIKeyNNAUFGQODIAFOA-UHFFFAOYSA-N
MW213.30 g/mol
LogP1.81
Rot. Bonds5

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

3-ethyl-3-hydroxy-1-(1,3-thiazol-2-yl)pentan-2-one (PubChem CID 103447076) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is 3-ethyl-3-hydroxy-1-(1,3-thiazol-2-yl)pentan-2-one.

Molecular Properties

Compound Name3-ethyl-3-hydroxy-1-(1,3-thiazol-2-yl)pentan-2-one
PubChem CID103447076
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name3-ethyl-3-hydroxy-1-(1,3-thiazol-2-yl)pentan-2-one
SMILESCCC(O)(CC)C(=O)Cc1nccs1
InChIInChI=1S/C10H15NO2S/c1-3-10(13,4-2)8(12)7-9-11-5-6-14-9/h5-6,13H,3-4,7H2,1-2H3
InChIKeyNNAUFGQODIAFOA-UHFFFAOYSA-N
XLogP1.81
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-3-piperidin-1-yl-1-(1,3-thiazol-2-yl)pentan-2-one
CID 79824229
1-(1,3-thiazol-2-yl)pentan-2-one
CID 63199328
3-(1,3-thiazol-2-ylmethyl)pentan-3-ol
CID 79819045
2-methyl-1-(1,3-thiazol-2-yl)butan-2-ol
CID 79819044
1,1,1-trifluoro-4-(1,3-thiazol-2-yl)butane-2,3-dione;hydrate
CID 154703079
3-ethoxy-4,4-dimethyl-1-(1,3-thiazol-2-yl)pentan-2-one
CID 116709921
1-(1,3-thiazol-2-yl)but-3-en-2-one
CID 103453622
6,6-dimethyl-1-(1,3-thiazol-2-yl)heptane-2,4-dione
CID 58474334
2-methyl-2-(1,3-thiazol-2-yl)butanoic acid
CID 130545087
4-methoxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-one
CID 103023379
4,5,5-trimethyl-1-(1,3-thiazol-2-yl)hexan-2-one
CID 115786460
2-(1,3-thiazol-2-ylmethyl)prop-2-enamide
CID 57004643

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-hydroxy-1-(1,3-thiazol-2-yl)pentan-2-one?
The IUPAC name of 3-ethyl-3-hydroxy-1-(1,3-thiazol-2-yl)pentan-2-one (CID 103447076) is 3-ethyl-3-hydroxy-1-(1,3-thiazol-2-yl)pentan-2-one.
What is the SMILES notation for 3-ethyl-3-hydroxy-1-(1,3-thiazol-2-yl)pentan-2-one?
The canonical SMILES for 3-ethyl-3-hydroxy-1-(1,3-thiazol-2-yl)pentan-2-one is CCC(O)(CC)C(=O)Cc1nccs1.
What is the InChIKey of 3-ethyl-3-hydroxy-1-(1,3-thiazol-2-yl)pentan-2-one?
The InChIKey is NNAUFGQODIAFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-3-10(13,4-2)8(12)7-9-11-5-6-14-9/h5-6,13H,3-4,7H2,1-2H3.
What are the key properties of 3-ethyl-3-hydroxy-1-(1,3-thiazol-2-yl)pentan-2-one?
3-ethyl-3-hydroxy-1-(1,3-thiazol-2-yl)pentan-2-one has a molecular weight of 213.30 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-hydroxy-1-(1,3-thiazol-2-yl)pentan-2-one is sourced from PubChem (CID 103447076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).