1-(5-ethenyl-1,3-thiazol-2-yl)-2-(2-methyl-3-phenylphenyl)ethanone

C20H17NOS — CID 159450343

IUPAC1-(5-ethenyl-1,3-thiazol-2-yl)-2-(2-methyl-3-phenylphenyl)ethanone
SMILESC=Cc1cnc(C(=O)Cc2cccc(-c3ccccc3)c2C)s1
InChIInChI=1S/C20H17NOS/c1-3-17-13-21-20(23-17)19(22)12-16-10-7-11-18(14(16)2)15-8-5-4-6-9-15/h3-11,13H,1,12H2,2H3
InChIKeyLTHGXSXQTLLSGS-UHFFFAOYSA-N
MW319.43 g/mol
LogP5.19
Rot. Bonds5

About 1-(5-ethenyl-1,3-thiazol-2-yl)-2-(2-methyl-3-phenylphenyl)ethanone

1-(5-ethenyl-1,3-thiazol-2-yl)-2-(2-methyl-3-phenylphenyl)ethanone (PubChem CID 159450343) has the molecular formula C20H17NOS and a molecular weight of 319.43 g/mol. Its IUPAC name is 1-(5-ethenyl-1,3-thiazol-2-yl)-2-(2-methyl-3-phenylphenyl)ethanone.

Molecular Properties

Compound Name1-(5-ethenyl-1,3-thiazol-2-yl)-2-(2-methyl-3-phenylphenyl)ethanone
PubChem CID159450343
Molecular FormulaC20H17NOS
Molecular Weight319.43 g/mol
Exact Mass319.10
IUPAC Name1-(5-ethenyl-1,3-thiazol-2-yl)-2-(2-methyl-3-phenylphenyl)ethanone
SMILESC=Cc1cnc(C(=O)Cc2cccc(-c3ccccc3)c2C)s1
InChIInChI=1S/C20H17NOS/c1-3-17-13-21-20(23-17)19(22)12-16-10-7-11-18(14(16)2)15-8-5-4-6-9-15/h3-11,13H,1,12H2,2H3
InChIKeyLTHGXSXQTLLSGS-UHFFFAOYSA-N
XLogP5.19
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.43
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(5-ethenyl-1,3-thiazol-2-yl)-2-(2-methyl-3-phenylphenyl)ethanone 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-(5-bromopyrimidin-2-yl)-2-(2-methyl-3-phenylphenyl)ethanone
CID 157484074
2-[2-(2-methyl-3-phenylphenyl)acetyl]pyridine-4-carbaldehyde
CID 162109496
5-formyl-N-(2-methyl-3-phenylphenyl)-1,3-thiazole-2-carboxamide
CID 134282246
(2S)-1-[[4-methyl-6-[2-(2-methyl-3-phenylphenyl)acetyl]-3-pyridinyl]methyl]piperidine-2-carboxylic acid
CID 147075376
2-(2-methyl-3-phenylphenyl)-1-[1-methyl-5-(propylaminomethyl)pyrazol-3-yl]ethanone
CID 167583828
3-(2-phenyl-1,3-thiazol-5-yl)prop-2-enoic acid
CID 69008565
2-[(2-methyl-3-phenylphenyl)methoxy]isoindole-1,3-dione
CID 134107407
3-[2-methyl-3-(4-phenylphenyl)phenyl]propanamide
CID 67666243
carbonic acid;1,2-dimethyl-3-phenylbenzene
CID 67785413
acetic acid;1-ethyl-2-phenylbenzene
CID 67681814
3-[[5-formyl-2-[2-(2-methyl-3-phenylphenyl)acetyl]-4-pyridinyl]oxymethyl]benzonitrile
CID 161048194
1-(2,2-dimethylpropyl)-2-methyl-3-phenylbenzene
CID 140963589

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethenyl-1,3-thiazol-2-yl)-2-(2-methyl-3-phenylphenyl)ethanone?
The IUPAC name of 1-(5-ethenyl-1,3-thiazol-2-yl)-2-(2-methyl-3-phenylphenyl)ethanone (CID 159450343) is 1-(5-ethenyl-1,3-thiazol-2-yl)-2-(2-methyl-3-phenylphenyl)ethanone.
What is the SMILES notation for 1-(5-ethenyl-1,3-thiazol-2-yl)-2-(2-methyl-3-phenylphenyl)ethanone?
The canonical SMILES for 1-(5-ethenyl-1,3-thiazol-2-yl)-2-(2-methyl-3-phenylphenyl)ethanone is C=Cc1cnc(C(=O)Cc2cccc(-c3ccccc3)c2C)s1.
What is the InChIKey of 1-(5-ethenyl-1,3-thiazol-2-yl)-2-(2-methyl-3-phenylphenyl)ethanone?
The InChIKey is LTHGXSXQTLLSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NOS/c1-3-17-13-21-20(23-17)19(22)12-16-10-7-11-18(14(16)2)15-8-5-4-6-9-15/h3-11,13H,1,12H2,2H3.
What are the key properties of 1-(5-ethenyl-1,3-thiazol-2-yl)-2-(2-methyl-3-phenylphenyl)ethanone?
1-(5-ethenyl-1,3-thiazol-2-yl)-2-(2-methyl-3-phenylphenyl)ethanone has a molecular weight of 319.43 g/mol, XLogP of 5.19, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethenyl-1,3-thiazol-2-yl)-2-(2-methyl-3-phenylphenyl)ethanone is sourced from PubChem (CID 159450343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).