3-(3-oxopentan-2-yl)-1,3-thiazol-2-one

C8H11NO2S — CID 64868447

IUPAC3-(3-oxopentan-2-yl)-1,3-thiazol-2-one
SMILESCCC(=O)C(C)n1ccsc1=O
InChIInChI=1S/C8H11NO2S/c1-3-7(10)6(2)9-4-5-12-8(9)11/h4-6H,3H2,1-2H3
InChIKeyUDHIIXCGDGLDML-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.45
Rot. Bonds3

About 3-(3-oxopentan-2-yl)-1,3-thiazol-2-one

3-(3-oxopentan-2-yl)-1,3-thiazol-2-one (PubChem CID 64868447) has the molecular formula C8H11NO2S and a molecular weight of 185.25 g/mol. Its IUPAC name is 3-(3-oxopentan-2-yl)-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-(3-oxopentan-2-yl)-1,3-thiazol-2-one
PubChem CID64868447
Molecular FormulaC8H11NO2S
Molecular Weight185.25 g/mol
Exact Mass185.05
IUPAC Name3-(3-oxopentan-2-yl)-1,3-thiazol-2-one
SMILESCCC(=O)C(C)n1ccsc1=O
InChIInChI=1S/C8H11NO2S/c1-3-7(10)6(2)9-4-5-12-8(9)11/h4-6H,3H2,1-2H3
InChIKeyUDHIIXCGDGLDML-UHFFFAOYSA-N
XLogP1.45
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Methyl-3-(2-oxobutyl)-1,3-thiazol-2-one
CID 62039543
3-(4-Oxopentyl)-1,3-thiazol-2-one
CID 63312222
3-(2-Oxopropyl)-1,3-thiazol-2-one
CID 63312407
3-(3-Oxobutyl)-1,3-thiazol-2-one
CID 63312649
3-(3,3-Dimethyl-2-oxobutyl)-1,3-thiazol-2-one
CID 63312753
3-(2-Oxopentyl)-1,3-thiazol-2-one
CID 63312936
3-(2-Oxobutyl)-1,3-thiazol-2-one
CID 63312938
4-Methyl-3-(3-oxopentan-2-yl)-1,3-thiazol-2-one
CID 64866724
3-(3-Methyl-2-oxobutyl)-1,3-thiazol-2-one
CID 79035309
3-(3-Methyl-2-oxopentyl)-1,3-thiazol-2-one
CID 80448749
4-(3-Oxobutan-2-yl)-1,4-thiazin-3-one
CID 84406705
3-(4-Oxohexyl)-1,3-thiazol-2-one
CID 104623628

Frequently Asked Questions

What is the IUPAC name of 3-(3-oxopentan-2-yl)-1,3-thiazol-2-one?
The IUPAC name of 3-(3-oxopentan-2-yl)-1,3-thiazol-2-one (CID 64868447) is 3-(3-oxopentan-2-yl)-1,3-thiazol-2-one.
What is the SMILES notation for 3-(3-oxopentan-2-yl)-1,3-thiazol-2-one?
The canonical SMILES for 3-(3-oxopentan-2-yl)-1,3-thiazol-2-one is CCC(=O)C(C)n1ccsc1=O.
What is the InChIKey of 3-(3-oxopentan-2-yl)-1,3-thiazol-2-one?
The InChIKey is UDHIIXCGDGLDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S/c1-3-7(10)6(2)9-4-5-12-8(9)11/h4-6H,3H2,1-2H3.
What are the key properties of 3-(3-oxopentan-2-yl)-1,3-thiazol-2-one?
3-(3-oxopentan-2-yl)-1,3-thiazol-2-one has a molecular weight of 185.25 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-oxopentan-2-yl)-1,3-thiazol-2-one is sourced from PubChem (CID 64868447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).