(E)-3-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-[2-(trifluoromethyl)phenyl]prop-2-en-1-one

C22H15F3N2OS — CID 155809354

IUPAC(E)-3-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-[2-(trifluoromethyl)phenyl]prop-2-en-1-one
SMILESCc1ccc(-c2nc3sccn3c2/C=C/C(=O)c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C22H15F3N2OS/c1-14-6-8-15(9-7-14)20-18(27-12-13-29-21(27)26-20)10-11-19(28)16-4-2-3-5-17(16)22(23,24)25/h2-13H,1H3/b11-10+
InChIKeyHEOBTEMLFOOZHN-ZHACJKMWSA-N
MW412.44 g/mol
LogP6.29
Rot. Bonds4

About (E)-3-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-[2-(trifluoromethyl)phenyl]prop-2-en-1-one

(E)-3-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-[2-(trifluoromethyl)phenyl]prop-2-en-1-one (PubChem CID 155809354) has the molecular formula C22H15F3N2OS and a molecular weight of 412.44 g/mol. Its IUPAC name is (E)-3-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-[2-(trifluoromethyl)phenyl]prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-[2-(trifluoromethyl)phenyl]prop-2-en-1-one
PubChem CID155809354
Molecular FormulaC22H15F3N2OS
Molecular Weight412.44 g/mol
Exact Mass412.09
IUPAC Name(E)-3-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-[2-(trifluoromethyl)phenyl]prop-2-en-1-one
SMILESCc1ccc(-c2nc3sccn3c2/C=C/C(=O)c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C22H15F3N2OS/c1-14-6-8-15(9-7-14)20-18(27-12-13-29-21(27)26-20)10-11-19(28)16-4-2-3-5-17(16)22(23,24)25/h2-13H,1H3/b11-10+
InChIKeyHEOBTEMLFOOZHN-ZHACJKMWSA-N
XLogP6.29
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.44
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-[2-(trifluoromethyl)phenyl]prop-2-en-1-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

6-Phenylimidazo(2,1-b)(1,3)thiazole-5-carbaldehyde
CID 329948
N-(6-phenyl-5-imidazo[2,1-b]thiazolyl)benzamide
CID 786409
7-(2-oxo-2-phenylethyl)-6-phenyl-7H-imidazo[2,1-b][1,3]thiazol-4-ium bromide
CID 2879421
7-[2-(4-nitrophenyl)-2-oxoethyl]-6-phenyl-7H-imidazo[2,1-b][1,3]thiazol-4-ium bromide
CID 5345644
6-(4-Fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 2759102
(2,5-Dimethylphenyl)-(6-methyl-5-imidazo[2,1-b]thiazolyl)methanone
CID 2998377
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(trifluoromethyl)benzamide
CID 3241089
2-fluoro-N-(3-{3-methylimidazo[2,1-b][1,3]thiazol-6-yl}phenyl)benzamide
CID 7151275
3-fluoro-N-(3-(3-methylimidazo[2,1-b]thiazol-6-yl)phenyl)benzamide
CID 7151282
4-acetyl-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzenesulfonamide
CID 7151327
Imidazo[2,1-b][1,3]benzothiazol-2-yl(phenyl)methanone
CID 14067627
2-(4-Methylbenzyl)-6-phenylimidazo[2,1-b][1,3]thiazole
CID 15991403

Frequently Asked Questions

What is the IUPAC name of (E)-3-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-[2-(trifluoromethyl)phenyl]prop-2-en-1-one?
The IUPAC name of (E)-3-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-[2-(trifluoromethyl)phenyl]prop-2-en-1-one (CID 155809354) is (E)-3-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-[2-(trifluoromethyl)phenyl]prop-2-en-1-one.
What is the SMILES notation for (E)-3-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-[2-(trifluoromethyl)phenyl]prop-2-en-1-one?
The canonical SMILES for (E)-3-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-[2-(trifluoromethyl)phenyl]prop-2-en-1-one is Cc1ccc(-c2nc3sccn3c2/C=C/C(=O)c2ccccc2C(F)(F)F)cc1.
What is the InChIKey of (E)-3-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-[2-(trifluoromethyl)phenyl]prop-2-en-1-one?
The InChIKey is HEOBTEMLFOOZHN-ZHACJKMWSA-N. The full InChI is InChI=1S/C22H15F3N2OS/c1-14-6-8-15(9-7-14)20-18(27-12-13-29-21(27)26-20)10-11-19(28)16-4-2-3-5-17(16)22(23,24)25/h2-13H,1H3/b11-10+.
What are the key properties of (E)-3-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-[2-(trifluoromethyl)phenyl]prop-2-en-1-one?
(E)-3-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-[2-(trifluoromethyl)phenyl]prop-2-en-1-one has a molecular weight of 412.44 g/mol, XLogP of 6.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-[2-(trifluoromethyl)phenyl]prop-2-en-1-one is sourced from PubChem (CID 155809354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).