(E)-1-(4-methylthiophen-3-yl)-3-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-en-1-one

C19H14N2OS2 — CID 163359892

IUPAC(E)-1-(4-methylthiophen-3-yl)-3-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-en-1-one
SMILESCc1cscc1C(=O)/C=C/c1c(-c2ccccc2)nc2sccn12
InChIInChI=1S/C19H14N2OS2/c1-13-11-23-12-15(13)17(22)8-7-16-18(14-5-3-2-4-6-14)20-19-21(16)9-10-24-19/h2-12H,1H3/b8-7+
InChIKeyGPYCJLOHRWEKAU-BQYQJAHWSA-N
MW350.47 g/mol
LogP5.33
Rot. Bonds4

About (E)-1-(4-methylthiophen-3-yl)-3-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-en-1-one

(E)-1-(4-methylthiophen-3-yl)-3-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-en-1-one (PubChem CID 163359892) has the molecular formula C19H14N2OS2 and a molecular weight of 350.47 g/mol. Its IUPAC name is (E)-1-(4-methylthiophen-3-yl)-3-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(4-methylthiophen-3-yl)-3-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-en-1-one
PubChem CID163359892
Molecular FormulaC19H14N2OS2
Molecular Weight350.47 g/mol
Exact Mass350.05
IUPAC Name(E)-1-(4-methylthiophen-3-yl)-3-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-en-1-one
SMILESCc1cscc1C(=O)/C=C/c1c(-c2ccccc2)nc2sccn12
InChIInChI=1S/C19H14N2OS2/c1-13-11-23-12-15(13)17(22)8-7-16-18(14-5-3-2-4-6-14)20-19-21(16)9-10-24-19/h2-12H,1H3/b8-7+
InChIKeyGPYCJLOHRWEKAU-BQYQJAHWSA-N
XLogP5.33
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.47
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoate
CID 169481294
3-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid
CID 2760659
(E)-1-(1-benzofuran-2-yl)-3-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-en-1-one
CID 7516245
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
(E)-1-(3,4-dimethylphenyl)-3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-en-1-one
CID 51353296
(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
(E)-1-(4-chloro-3-nitrophenyl)-3-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-en-1-one
CID 7516233
ethane;5-methyl-6-phenylimidazo[2,1-b][1,3]thiazole
CID 144628970
(E)-1-(2-bromophenyl)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-en-1-one
CID 8856635
N-[4-[(E)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-2-yl]acetamide
CID 44586769
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
2-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]indene-1,3-dione
CID 3808004

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-methylthiophen-3-yl)-3-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-en-1-one?
The IUPAC name of (E)-1-(4-methylthiophen-3-yl)-3-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-en-1-one (CID 163359892) is (E)-1-(4-methylthiophen-3-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-(4-methylthiophen-3-yl)-3-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(4-methylthiophen-3-yl)-3-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-en-1-one is Cc1cscc1C(=O)/C=C/c1c(-c2ccccc2)nc2sccn12.
What is the InChIKey of (E)-1-(4-methylthiophen-3-yl)-3-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-en-1-one?
The InChIKey is GPYCJLOHRWEKAU-BQYQJAHWSA-N. The full InChI is InChI=1S/C19H14N2OS2/c1-13-11-23-12-15(13)17(22)8-7-16-18(14-5-3-2-4-6-14)20-19-21(16)9-10-24-19/h2-12H,1H3/b8-7+.
What are the key properties of (E)-1-(4-methylthiophen-3-yl)-3-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-en-1-one?
(E)-1-(4-methylthiophen-3-yl)-3-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-en-1-one has a molecular weight of 350.47 g/mol, XLogP of 5.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-methylthiophen-3-yl)-3-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-en-1-one is sourced from PubChem (CID 163359892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).