3-(1-benzothiophen-4-yl)-2-prop-2-enyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide

C16H15BrN2S2 — CID 22474228

IUPAC3-(1-benzothiophen-4-yl)-2-prop-2-enyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide
SMILESBr.C=CCC1=C(c2cccc3sccc23)N2CCN=C2S1
InChIInChI=1S/C16H14N2S2.BrH/c1-2-4-14-15(18-9-8-17-16(18)20-14)12-5-3-6-13-11(12)7-10-19-13;/h2-3,5-7,10H,1,4,8-9H2;1H
InChIKeyXEFVWAYBYOAYAA-UHFFFAOYSA-N
MW379.35 g/mol
LogP5.14
Rot. Bonds3

About 3-(1-benzothiophen-4-yl)-2-prop-2-enyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide

3-(1-benzothiophen-4-yl)-2-prop-2-enyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide (PubChem CID 22474228) has the molecular formula C16H15BrN2S2 and a molecular weight of 379.35 g/mol. Its IUPAC name is 3-(1-benzothiophen-4-yl)-2-prop-2-enyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide.

Molecular Properties

Compound Name3-(1-benzothiophen-4-yl)-2-prop-2-enyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide
PubChem CID22474228
Molecular FormulaC16H15BrN2S2
Molecular Weight379.35 g/mol
Exact Mass377.99
IUPAC Name3-(1-benzothiophen-4-yl)-2-prop-2-enyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide
SMILESBr.C=CCC1=C(c2cccc3sccc23)N2CCN=C2S1
InChIInChI=1S/C16H14N2S2.BrH/c1-2-4-14-15(18-9-8-17-16(18)20-14)12-5-3-6-13-11(12)7-10-19-13;/h2-3,5-7,10H,1,4,8-9H2;1H
InChIKeyXEFVWAYBYOAYAA-UHFFFAOYSA-N
XLogP5.14
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.35
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-4-yl)-2-prop-2-enyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide?
The IUPAC name of 3-(1-benzothiophen-4-yl)-2-prop-2-enyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide (CID 22474228) is 3-(1-benzothiophen-4-yl)-2-prop-2-enyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide.
What is the SMILES notation for 3-(1-benzothiophen-4-yl)-2-prop-2-enyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide?
The canonical SMILES for 3-(1-benzothiophen-4-yl)-2-prop-2-enyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide is Br.C=CCC1=C(c2cccc3sccc23)N2CCN=C2S1.
What is the InChIKey of 3-(1-benzothiophen-4-yl)-2-prop-2-enyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide?
The InChIKey is XEFVWAYBYOAYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2S2.BrH/c1-2-4-14-15(18-9-8-17-16(18)20-14)12-5-3-6-13-11(12)7-10-19-13;/h2-3,5-7,10H,1,4,8-9H2;1H.
What are the key properties of 3-(1-benzothiophen-4-yl)-2-prop-2-enyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide?
3-(1-benzothiophen-4-yl)-2-prop-2-enyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide has a molecular weight of 379.35 g/mol, XLogP of 5.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-4-yl)-2-prop-2-enyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide is sourced from PubChem (CID 22474228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).