(E)-1-(1-benzofuran-2-yl)-3-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-en-1-one

C22H14N2O2S — CID 7516245

IUPAC(E)-1-(1-benzofuran-2-yl)-3-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-en-1-one
SMILESO=C(/C=C/c1c(-c2ccccc2)nc2sccn12)c1cc2ccccc2o1
InChIInChI=1S/C22H14N2O2S/c25-18(20-14-16-8-4-5-9-19(16)26-20)11-10-17-21(15-6-2-1-3-7-15)23-22-24(17)12-13-27-22/h1-14H/b11-10+
InChIKeyIQOIOBDJFJSAHM-ZHACJKMWSA-N
MW370.43 g/mol
LogP5.71
Rot. Bonds4

About (E)-1-(1-benzofuran-2-yl)-3-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-en-1-one

(E)-1-(1-benzofuran-2-yl)-3-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-en-1-one (PubChem CID 7516245) has the molecular formula C22H14N2O2S and a molecular weight of 370.43 g/mol. Its IUPAC name is (E)-1-(1-benzofuran-2-yl)-3-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(1-benzofuran-2-yl)-3-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-en-1-one
PubChem CID7516245
Molecular FormulaC22H14N2O2S
Molecular Weight370.43 g/mol
Exact Mass370.08
IUPAC Name(E)-1-(1-benzofuran-2-yl)-3-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-en-1-one
SMILESO=C(/C=C/c1c(-c2ccccc2)nc2sccn12)c1cc2ccccc2o1
InChIInChI=1S/C22H14N2O2S/c25-18(20-14-16-8-4-5-9-19(16)26-20)11-10-17-21(15-6-2-1-3-7-15)23-22-24(17)12-13-27-22/h1-14H/b11-10+
InChIKeyIQOIOBDJFJSAHM-ZHACJKMWSA-N
XLogP5.71
TPSA47.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.43
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (E)-1-(1-benzofuran-2-yl)-3-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)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

ethyl 3-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoate
CID 169481294
(E)-1-(4-methylthiophen-3-yl)-3-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-en-1-one
CID 163359892
(E)-1-(4-chloro-3-nitrophenyl)-3-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-en-1-one
CID 7516233
3-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid
CID 2760659
2-[(E)-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine
CID 5468547
3-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(1H-indol-3-yl)prop-2-en-1-one
CID 70896456
N-[4-[(E)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-2-yl]acetamide
CID 44586769
6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 3747079
(E)-3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(1H-indol-3-yl)prop-2-en-1-one
CID 51352960
2-[(E)-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride
CID 5468546
3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 70896459
1-(1-benzofuran-2-yl)-3-(4-tert-butylphenyl)prop-2-en-1-one
CID 3972941

Frequently Asked Questions

What is the IUPAC name of (E)-1-(1-benzofuran-2-yl)-3-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-en-1-one?
The IUPAC name of (E)-1-(1-benzofuran-2-yl)-3-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-en-1-one (CID 7516245) is (E)-1-(1-benzofuran-2-yl)-3-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(1-benzofuran-2-yl)-3-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(1-benzofuran-2-yl)-3-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-en-1-one is O=C(/C=C/c1c(-c2ccccc2)nc2sccn12)c1cc2ccccc2o1.
What is the InChIKey of (E)-1-(1-benzofuran-2-yl)-3-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-en-1-one?
The InChIKey is IQOIOBDJFJSAHM-ZHACJKMWSA-N. The full InChI is InChI=1S/C22H14N2O2S/c25-18(20-14-16-8-4-5-9-19(16)26-20)11-10-17-21(15-6-2-1-3-7-15)23-22-24(17)12-13-27-22/h1-14H/b11-10+.
What are the key properties of (E)-1-(1-benzofuran-2-yl)-3-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-en-1-one?
(E)-1-(1-benzofuran-2-yl)-3-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-en-1-one has a molecular weight of 370.43 g/mol, XLogP of 5.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(1-benzofuran-2-yl)-3-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-en-1-one is sourced from PubChem (CID 7516245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).