3-(2-oxopentyl)-1,3-thiazol-2-one

C8H11NO2S — CID 63312936

IUPAC3-(2-oxopentyl)-1,3-thiazol-2-one
SMILESCCCC(=O)Cn1ccsc1=O
InChIInChI=1S/C8H11NO2S/c1-2-3-7(10)6-9-4-5-12-8(9)11/h4-5H,2-3,6H2,1H3
InChIKeyIJHHJNGNEFSCJL-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.28
Rot. Bonds4

About 3-(2-oxopentyl)-1,3-thiazol-2-one

3-(2-oxopentyl)-1,3-thiazol-2-one (PubChem CID 63312936) has the molecular formula C8H11NO2S and a molecular weight of 185.25 g/mol. Its IUPAC name is 3-(2-oxopentyl)-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-(2-oxopentyl)-1,3-thiazol-2-one
PubChem CID63312936
Molecular FormulaC8H11NO2S
Molecular Weight185.25 g/mol
Exact Mass185.05
IUPAC Name3-(2-oxopentyl)-1,3-thiazol-2-one
SMILESCCCC(=O)Cn1ccsc1=O
InChIInChI=1S/C8H11NO2S/c1-2-3-7(10)6-9-4-5-12-8(9)11/h4-5H,2-3,6H2,1H3
InChIKeyIJHHJNGNEFSCJL-UHFFFAOYSA-N
XLogP1.28
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-oxopentyl)-1,3-thiazol-2-one?
The IUPAC name of 3-(2-oxopentyl)-1,3-thiazol-2-one (CID 63312936) is 3-(2-oxopentyl)-1,3-thiazol-2-one.
What is the SMILES notation for 3-(2-oxopentyl)-1,3-thiazol-2-one?
The canonical SMILES for 3-(2-oxopentyl)-1,3-thiazol-2-one is CCCC(=O)Cn1ccsc1=O.
What is the InChIKey of 3-(2-oxopentyl)-1,3-thiazol-2-one?
The InChIKey is IJHHJNGNEFSCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S/c1-2-3-7(10)6-9-4-5-12-8(9)11/h4-5H,2-3,6H2,1H3.
What are the key properties of 3-(2-oxopentyl)-1,3-thiazol-2-one?
3-(2-oxopentyl)-1,3-thiazol-2-one has a molecular weight of 185.25 g/mol, XLogP of 1.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxopentyl)-1,3-thiazol-2-one is sourced from PubChem (CID 63312936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).