2-ethenyl-3-(5-fluoro-1-benzothiophen-7-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole

C15H11FN2S2 — CID 22473713

IUPAC2-ethenyl-3-(5-fluoro-1-benzothiophen-7-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
SMILESC=CC1=C(c2cc(F)cc3ccsc23)N2CCN=C2S1
InChIInChI=1S/C15H11FN2S2/c1-2-12-13(18-5-4-17-15(18)20-12)11-8-10(16)7-9-3-6-19-14(9)11/h2-3,6-8H,1,4-5H2
InChIKeyJCPQUEORYVZKSR-UHFFFAOYSA-N
MW302.40 g/mol
LogP4.31
Rot. Bonds2

About 2-ethenyl-3-(5-fluoro-1-benzothiophen-7-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole

2-ethenyl-3-(5-fluoro-1-benzothiophen-7-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole (PubChem CID 22473713) has the molecular formula C15H11FN2S2 and a molecular weight of 302.40 g/mol. Its IUPAC name is 2-ethenyl-3-(5-fluoro-1-benzothiophen-7-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name2-ethenyl-3-(5-fluoro-1-benzothiophen-7-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
PubChem CID22473713
Molecular FormulaC15H11FN2S2
Molecular Weight302.40 g/mol
Exact Mass302.03
IUPAC Name2-ethenyl-3-(5-fluoro-1-benzothiophen-7-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
SMILESC=CC1=C(c2cc(F)cc3ccsc23)N2CCN=C2S1
InChIInChI=1S/C15H11FN2S2/c1-2-12-13(18-5-4-17-15(18)20-12)11-8-10(16)7-9-3-6-19-14(9)11/h2-3,6-8H,1,4-5H2
InChIKeyJCPQUEORYVZKSR-UHFFFAOYSA-N
XLogP4.31
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-3-(5-fluoro-1-benzothiophen-7-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 2-ethenyl-3-(5-fluoro-1-benzothiophen-7-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole (CID 22473713) is 2-ethenyl-3-(5-fluoro-1-benzothiophen-7-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 2-ethenyl-3-(5-fluoro-1-benzothiophen-7-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 2-ethenyl-3-(5-fluoro-1-benzothiophen-7-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole is C=CC1=C(c2cc(F)cc3ccsc23)N2CCN=C2S1.
What is the InChIKey of 2-ethenyl-3-(5-fluoro-1-benzothiophen-7-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The InChIKey is JCPQUEORYVZKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2S2/c1-2-12-13(18-5-4-17-15(18)20-12)11-8-10(16)7-9-3-6-19-14(9)11/h2-3,6-8H,1,4-5H2.
What are the key properties of 2-ethenyl-3-(5-fluoro-1-benzothiophen-7-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
2-ethenyl-3-(5-fluoro-1-benzothiophen-7-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole has a molecular weight of 302.40 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-3-(5-fluoro-1-benzothiophen-7-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 22473713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).