1-[3-propanoyl-2-(1,3-thiazol-2-yl)phenyl]propan-1-one

C15H15NO2S — CID 11459995

IUPAC1-[3-propanoyl-2-(1,3-thiazol-2-yl)phenyl]propan-1-one
SMILESCCC(=O)c1cccc(C(=O)CC)c1-c1nccs1
InChIInChI=1S/C15H15NO2S/c1-3-12(17)10-6-5-7-11(13(18)4-2)14(10)15-16-8-9-19-15/h5-9H,3-4H2,1-2H3
InChIKeyFPNAPMFOIIYDBO-UHFFFAOYSA-N
MW273.36 g/mol
LogP4.00
Rot. Bonds5

About 1-[3-propanoyl-2-(1,3-thiazol-2-yl)phenyl]propan-1-one

1-[3-propanoyl-2-(1,3-thiazol-2-yl)phenyl]propan-1-one (PubChem CID 11459995) has the molecular formula C15H15NO2S and a molecular weight of 273.36 g/mol. Its IUPAC name is 1-[3-propanoyl-2-(1,3-thiazol-2-yl)phenyl]propan-1-one.

Molecular Properties

Compound Name1-[3-propanoyl-2-(1,3-thiazol-2-yl)phenyl]propan-1-one
PubChem CID11459995
Molecular FormulaC15H15NO2S
Molecular Weight273.36 g/mol
Exact Mass273.08
IUPAC Name1-[3-propanoyl-2-(1,3-thiazol-2-yl)phenyl]propan-1-one
SMILESCCC(=O)c1cccc(C(=O)CC)c1-c1nccs1
InChIInChI=1S/C15H15NO2S/c1-3-12(17)10-6-5-7-11(13(18)4-2)14(10)15-16-8-9-19-15/h5-9H,3-4H2,1-2H3
InChIKeyFPNAPMFOIIYDBO-UHFFFAOYSA-N
XLogP4.00
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-propanoyl-2-(1,3-thiazol-2-yl)phenyl]propan-1-one?
The IUPAC name of 1-[3-propanoyl-2-(1,3-thiazol-2-yl)phenyl]propan-1-one (CID 11459995) is 1-[3-propanoyl-2-(1,3-thiazol-2-yl)phenyl]propan-1-one.
What is the SMILES notation for 1-[3-propanoyl-2-(1,3-thiazol-2-yl)phenyl]propan-1-one?
The canonical SMILES for 1-[3-propanoyl-2-(1,3-thiazol-2-yl)phenyl]propan-1-one is CCC(=O)c1cccc(C(=O)CC)c1-c1nccs1.
What is the InChIKey of 1-[3-propanoyl-2-(1,3-thiazol-2-yl)phenyl]propan-1-one?
The InChIKey is FPNAPMFOIIYDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2S/c1-3-12(17)10-6-5-7-11(13(18)4-2)14(10)15-16-8-9-19-15/h5-9H,3-4H2,1-2H3.
What are the key properties of 1-[3-propanoyl-2-(1,3-thiazol-2-yl)phenyl]propan-1-one?
1-[3-propanoyl-2-(1,3-thiazol-2-yl)phenyl]propan-1-one has a molecular weight of 273.36 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-propanoyl-2-(1,3-thiazol-2-yl)phenyl]propan-1-one is sourced from PubChem (CID 11459995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).