3-(2-oxo-3-phenylpropyl)-1,3-thiazol-2-one

C12H11NO2S — CID 63312750

IUPAC3-(2-oxo-3-phenylpropyl)-1,3-thiazol-2-one
SMILESO=C(Cc1ccccc1)Cn1ccsc1=O
InChIInChI=1S/C12H11NO2S/c14-11(8-10-4-2-1-3-5-10)9-13-6-7-16-12(13)15/h1-7H,8-9H2
InChIKeyUJYIAOSMNAZAKH-UHFFFAOYSA-N
MW233.29 g/mol
LogP1.72
Rot. Bonds4

About 3-(2-oxo-3-phenylpropyl)-1,3-thiazol-2-one

3-(2-oxo-3-phenylpropyl)-1,3-thiazol-2-one (PubChem CID 63312750) has the molecular formula C12H11NO2S and a molecular weight of 233.29 g/mol. Its IUPAC name is 3-(2-oxo-3-phenylpropyl)-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-(2-oxo-3-phenylpropyl)-1,3-thiazol-2-one
PubChem CID63312750
Molecular FormulaC12H11NO2S
Molecular Weight233.29 g/mol
Exact Mass233.05
IUPAC Name3-(2-oxo-3-phenylpropyl)-1,3-thiazol-2-one
SMILESO=C(Cc1ccccc1)Cn1ccsc1=O
InChIInChI=1S/C12H11NO2S/c14-11(8-10-4-2-1-3-5-10)9-13-6-7-16-12(13)15/h1-7H,8-9H2
InChIKeyUJYIAOSMNAZAKH-UHFFFAOYSA-N
XLogP1.72
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-3-phenylpropyl)-1,3-thiazol-2-one?
The IUPAC name of 3-(2-oxo-3-phenylpropyl)-1,3-thiazol-2-one (CID 63312750) is 3-(2-oxo-3-phenylpropyl)-1,3-thiazol-2-one.
What is the SMILES notation for 3-(2-oxo-3-phenylpropyl)-1,3-thiazol-2-one?
The canonical SMILES for 3-(2-oxo-3-phenylpropyl)-1,3-thiazol-2-one is O=C(Cc1ccccc1)Cn1ccsc1=O.
What is the InChIKey of 3-(2-oxo-3-phenylpropyl)-1,3-thiazol-2-one?
The InChIKey is UJYIAOSMNAZAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2S/c14-11(8-10-4-2-1-3-5-10)9-13-6-7-16-12(13)15/h1-7H,8-9H2.
What are the key properties of 3-(2-oxo-3-phenylpropyl)-1,3-thiazol-2-one?
3-(2-oxo-3-phenylpropyl)-1,3-thiazol-2-one has a molecular weight of 233.29 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-3-phenylpropyl)-1,3-thiazol-2-one is sourced from PubChem (CID 63312750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).