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

C12H11NO2S — CID 116691933

IUPAC3-(3-oxo-3-phenylpropyl)-1,3-thiazol-2-one
SMILESO=C(CCn1ccsc1=O)c1ccccc1
InChIInChI=1S/C12H11NO2S/c14-11(10-4-2-1-3-5-10)6-7-13-8-9-16-12(13)15/h1-5,8-9H,6-7H2
InChIKeyIFPRPGAPALYANR-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.18
Rot. Bonds4

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

3-(3-oxo-3-phenylpropyl)-1,3-thiazol-2-one (PubChem CID 116691933) has the molecular formula C12H11NO2S and a molecular weight of 233.29 g/mol. Its IUPAC name is 3-(3-oxo-3-phenylpropyl)-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-(3-oxo-3-phenylpropyl)-1,3-thiazol-2-one
PubChem CID116691933
Molecular FormulaC12H11NO2S
Molecular Weight233.29 g/mol
Exact Mass233.05
IUPAC Name3-(3-oxo-3-phenylpropyl)-1,3-thiazol-2-one
SMILESO=C(CCn1ccsc1=O)c1ccccc1
InChIInChI=1S/C12H11NO2S/c14-11(10-4-2-1-3-5-10)6-7-13-8-9-16-12(13)15/h1-5,8-9H,6-7H2
InChIKeyIFPRPGAPALYANR-UHFFFAOYSA-N
XLogP2.18
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 ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-3-(3-oxo-3-phenylpropyl)-1,3-thiazol-2-one
CID 116691894
3-(2-aminoethyl)-1,3-thiazol-2-one;2,2,2-trifluoroacetic acid
CID 170912758
3-(7-ethylindol-1-yl)-1-phenylpropan-1-one
CID 116691880
3-[2-(2-bromophenyl)-2-oxoethyl]-1,3-thiazol-2-one
CID 63312655
N-(2-cyanophenyl)-4-(2-oxo-1,3-thiazol-3-yl)butanamide
CID 63312495
3-(2-ethylimidazol-1-yl)-1-phenylpropan-1-one
CID 116691859
3-(4-methylindol-1-yl)-1-phenylpropan-1-one
CID 116691890
3-(4-methylpiperazin-1-yl)-1-phenylpropan-1-one chloride
CID 21231581
3-(6-bromoindol-1-yl)-1-phenylpropan-1-one
CID 116691910
3-(5-methylindol-1-yl)-1-phenylpropan-1-one
CID 116691935
1,15-diphenylpentadecane-1,15-dione
CID 159981687
3-bromo-1-(4-oxo-4-phenylbutyl)pyridin-2-one
CID 114760572

Frequently Asked Questions

What is the IUPAC name of 3-(3-oxo-3-phenylpropyl)-1,3-thiazol-2-one?
The IUPAC name of 3-(3-oxo-3-phenylpropyl)-1,3-thiazol-2-one (CID 116691933) is 3-(3-oxo-3-phenylpropyl)-1,3-thiazol-2-one.
What is the SMILES notation for 3-(3-oxo-3-phenylpropyl)-1,3-thiazol-2-one?
The canonical SMILES for 3-(3-oxo-3-phenylpropyl)-1,3-thiazol-2-one is O=C(CCn1ccsc1=O)c1ccccc1.
What is the InChIKey of 3-(3-oxo-3-phenylpropyl)-1,3-thiazol-2-one?
The InChIKey is IFPRPGAPALYANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2S/c14-11(10-4-2-1-3-5-10)6-7-13-8-9-16-12(13)15/h1-5,8-9H,6-7H2.
What are the key properties of 3-(3-oxo-3-phenylpropyl)-1,3-thiazol-2-one?
3-(3-oxo-3-phenylpropyl)-1,3-thiazol-2-one has a molecular weight of 233.29 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-oxo-3-phenylpropyl)-1,3-thiazol-2-one is sourced from PubChem (CID 116691933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).