1-phenyl-3-(1,3-thiazol-5-yl)propan-1-one

C12H11NOS — CID 112641235

IUPAC1-phenyl-3-(1,3-thiazol-5-yl)propan-1-one
SMILESO=C(CCc1cncs1)c1ccccc1
InChIInChI=1S/C12H11NOS/c14-12(10-4-2-1-3-5-10)7-6-11-8-13-9-15-11/h1-5,8-9H,6-7H2
InChIKeyAFNWVSIVNXXZJU-UHFFFAOYSA-N
MW217.29 g/mol
LogP2.96
Rot. Bonds4

About 1-phenyl-3-(1,3-thiazol-5-yl)propan-1-one

1-phenyl-3-(1,3-thiazol-5-yl)propan-1-one (PubChem CID 112641235) has the molecular formula C12H11NOS and a molecular weight of 217.29 g/mol. Its IUPAC name is 1-phenyl-3-(1,3-thiazol-5-yl)propan-1-one.

Molecular Properties

Compound Name1-phenyl-3-(1,3-thiazol-5-yl)propan-1-one
PubChem CID112641235
Molecular FormulaC12H11NOS
Molecular Weight217.29 g/mol
Exact Mass217.06
IUPAC Name1-phenyl-3-(1,3-thiazol-5-yl)propan-1-one
SMILESO=C(CCc1cncs1)c1ccccc1
InChIInChI=1S/C12H11NOS/c14-12(10-4-2-1-3-5-10)7-6-11-8-13-9-15-11/h1-5,8-9H,6-7H2
InChIKeyAFNWVSIVNXXZJU-UHFFFAOYSA-N
XLogP2.96
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,3-thiazol-5-yl)propanoic acid
CID 45121677
1-(1,3-thiazol-5-yl)hexan-3-one
CID 112641236
(2S)-2-methyl-5-oxo-5-[3-[5-(1,3-thiazol-5-yl)pentyl]phenyl]pentanoic acid
CID 163653216
4-(1,3-thiazol-5-yl)butanamide
CID 66579232
3-(5-ethylthiophen-2-yl)-1-phenylpropan-1-one
CID 43175810
3-(5-bromothiophen-2-yl)-1-phenylpropan-1-one
CID 43370287
2-phenoxy-N-[2-(1,3-thiazol-5-yl)ethyl]acetamide
CID 110717509
1-(3-fluorophenyl)-2-(1,3-thiazol-5-yl)ethanone
CID 112642213
1-phenyl-4-(1,3-thiazol-5-yl)butan-1-ol
CID 112644716
3-bromo-N-[2-(1,3-thiazol-5-yl)ethyl]benzamide
CID 110717489
1-phenyl-3-(3-phenyltriazol-4-yl)propan-1-one
CID 46890245
1,15-diphenylpentadecane-1,15-dione
CID 159981687

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(1,3-thiazol-5-yl)propan-1-one?
The IUPAC name of 1-phenyl-3-(1,3-thiazol-5-yl)propan-1-one (CID 112641235) is 1-phenyl-3-(1,3-thiazol-5-yl)propan-1-one.
What is the SMILES notation for 1-phenyl-3-(1,3-thiazol-5-yl)propan-1-one?
The canonical SMILES for 1-phenyl-3-(1,3-thiazol-5-yl)propan-1-one is O=C(CCc1cncs1)c1ccccc1.
What is the InChIKey of 1-phenyl-3-(1,3-thiazol-5-yl)propan-1-one?
The InChIKey is AFNWVSIVNXXZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NOS/c14-12(10-4-2-1-3-5-10)7-6-11-8-13-9-15-11/h1-5,8-9H,6-7H2.
What are the key properties of 1-phenyl-3-(1,3-thiazol-5-yl)propan-1-one?
1-phenyl-3-(1,3-thiazol-5-yl)propan-1-one has a molecular weight of 217.29 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(1,3-thiazol-5-yl)propan-1-one is sourced from PubChem (CID 112641235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).