1-(2-benzoylphenyl)-3-(1,3-thiazol-2-yl)propan-2-one

C19H15NO2S — CID 58541459

IUPAC1-(2-benzoylphenyl)-3-(1,3-thiazol-2-yl)propan-2-one
SMILESO=C(Cc1nccs1)Cc1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C19H15NO2S/c21-16(13-18-20-10-11-23-18)12-15-8-4-5-9-17(15)19(22)14-6-2-1-3-7-14/h1-11H,12-13H2
InChIKeyAZHGVDHGCULGCF-UHFFFAOYSA-N
MW321.40 g/mol
LogP3.73
Rot. Bonds6

About 1-(2-benzoylphenyl)-3-(1,3-thiazol-2-yl)propan-2-one

1-(2-benzoylphenyl)-3-(1,3-thiazol-2-yl)propan-2-one (PubChem CID 58541459) has the molecular formula C19H15NO2S and a molecular weight of 321.40 g/mol. Its IUPAC name is 1-(2-benzoylphenyl)-3-(1,3-thiazol-2-yl)propan-2-one.

Molecular Properties

Compound Name1-(2-benzoylphenyl)-3-(1,3-thiazol-2-yl)propan-2-one
PubChem CID58541459
Molecular FormulaC19H15NO2S
Molecular Weight321.40 g/mol
Exact Mass321.08
IUPAC Name1-(2-benzoylphenyl)-3-(1,3-thiazol-2-yl)propan-2-one
SMILESO=C(Cc1nccs1)Cc1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C19H15NO2S/c21-16(13-18-20-10-11-23-18)12-15-8-4-5-9-17(15)19(22)14-6-2-1-3-7-14/h1-11H,12-13H2
InChIKeyAZHGVDHGCULGCF-UHFFFAOYSA-N
XLogP3.73
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2-benzoylphenyl)-3-(1,3-thiazol-2-yl)propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-phenyl-2-(1,3-thiazol-2-yl)ethanone;hydrobromide
CID 173018716
1-[5-chloro-2-(2-fluorobenzoyl)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one
CID 58541218
2-benzoyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 49411610
methyl 2-[2-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]sulfanylbenzoate
CID 58541557
1-phenyl-2-(1,3-thiazol-2-yl)ethanone;pyridine;dihydrobromide
CID 173067344
2-(2-benzoylphenyl)acetyl chloride
CID 139777615
1-(2-benzoylphenyl)-3-[4-(2-methyl-4-pyridinyl)phenyl]propan-2-one
CID 58267191
4-amino-4-phenyl-1-(1,3-thiazol-2-yl)butan-2-one
CID 116552998
1-(benzylamino)-3-(1,3-thiazol-2-yl)propan-2-one
CID 58516398
phenyl-(2-prop-2-enylphenyl)methanone
CID 12026554
2-[2-(4-fluorobenzoyl)phenyl]acetic acid
CID 132556862
sodium;(2-ethylphenyl)-phenylmethanone;hydride
CID 175475173

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzoylphenyl)-3-(1,3-thiazol-2-yl)propan-2-one?
The IUPAC name of 1-(2-benzoylphenyl)-3-(1,3-thiazol-2-yl)propan-2-one (CID 58541459) is 1-(2-benzoylphenyl)-3-(1,3-thiazol-2-yl)propan-2-one.
What is the SMILES notation for 1-(2-benzoylphenyl)-3-(1,3-thiazol-2-yl)propan-2-one?
The canonical SMILES for 1-(2-benzoylphenyl)-3-(1,3-thiazol-2-yl)propan-2-one is O=C(Cc1nccs1)Cc1ccccc1C(=O)c1ccccc1.
What is the InChIKey of 1-(2-benzoylphenyl)-3-(1,3-thiazol-2-yl)propan-2-one?
The InChIKey is AZHGVDHGCULGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO2S/c21-16(13-18-20-10-11-23-18)12-15-8-4-5-9-17(15)19(22)14-6-2-1-3-7-14/h1-11H,12-13H2.
What are the key properties of 1-(2-benzoylphenyl)-3-(1,3-thiazol-2-yl)propan-2-one?
1-(2-benzoylphenyl)-3-(1,3-thiazol-2-yl)propan-2-one has a molecular weight of 321.40 g/mol, XLogP of 3.73, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzoylphenyl)-3-(1,3-thiazol-2-yl)propan-2-one is sourced from PubChem (CID 58541459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).