3-ethyl-3-hydroxy-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-one

C11H17NO2S — CID 103447216

IUPAC3-ethyl-3-hydroxy-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-one
SMILESCCC(O)(CC)C(=O)Cc1nc(C)cs1
InChIInChI=1S/C11H17NO2S/c1-4-11(14,5-2)9(13)6-10-12-8(3)7-15-10/h7,14H,4-6H2,1-3H3
InChIKeyVHJIKUQJGIXGBH-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.11
Rot. Bonds5

About 3-ethyl-3-hydroxy-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-one

3-ethyl-3-hydroxy-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-one (PubChem CID 103447216) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is 3-ethyl-3-hydroxy-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-one.

Molecular Properties

Compound Name3-ethyl-3-hydroxy-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-one
PubChem CID103447216
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Name3-ethyl-3-hydroxy-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-one
SMILESCCC(O)(CC)C(=O)Cc1nc(C)cs1
InChIInChI=1S/C11H17NO2S/c1-4-11(14,5-2)9(13)6-10-12-8(3)7-15-10/h7,14H,4-6H2,1-3H3
InChIKeyVHJIKUQJGIXGBH-UHFFFAOYSA-N
XLogP2.11
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-3-hydroxy-1-(1,3-thiazol-2-yl)pentan-2-one
CID 103447076
CID 131842856
CID 131842856
4-ethyl-1-(4-methyl-1,3-thiazol-2-yl)hexan-2-one
CID 82919513
3-methoxy-1-(4-methyl-1,3-thiazol-2-yl)hexan-2-one
CID 116708274
2-ethyl-4-methyl-1,3-thiazole
CID 27440
3-amino-4-methyl-1-(4-methyl-1,3-thiazol-2-yl)hexan-2-one
CID 116552853
N-butyl-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 110484403
4-(tert-butylamino)-1-(4-methyl-1,3-thiazol-2-yl)butan-2-one
CID 116558009
1-(2,6-dichlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
CID 62795300
3-amino-1-(4-methyl-1,3-thiazol-2-yl)heptan-2-one
CID 116556825
1-(1-ethylcyclopentyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 115789251
2-(4-methyl-1,3-thiazol-2-yl)-1-pyridin-4-ylethanone
CID 112731545

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-hydroxy-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-one?
The IUPAC name of 3-ethyl-3-hydroxy-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-one (CID 103447216) is 3-ethyl-3-hydroxy-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-one.
What is the SMILES notation for 3-ethyl-3-hydroxy-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-one?
The canonical SMILES for 3-ethyl-3-hydroxy-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-one is CCC(O)(CC)C(=O)Cc1nc(C)cs1.
What is the InChIKey of 3-ethyl-3-hydroxy-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-one?
The InChIKey is VHJIKUQJGIXGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-4-11(14,5-2)9(13)6-10-12-8(3)7-15-10/h7,14H,4-6H2,1-3H3.
What are the key properties of 3-ethyl-3-hydroxy-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-one?
3-ethyl-3-hydroxy-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-one has a molecular weight of 227.33 g/mol, XLogP of 2.11, 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-(4-methyl-1,3-thiazol-2-yl)pentan-2-one is sourced from PubChem (CID 103447216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).