3-(7-fluoro-1-benzothiophen-4-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide

C14H12BrFN2S2 — CID 22474288

IUPAC3-(7-fluoro-1-benzothiophen-4-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide
SMILESBr.CC1=C(c2ccc(F)c3sccc23)N2CCN=C2S1
InChIInChI=1S/C14H11FN2S2.BrH/c1-8-12(17-6-5-16-14(17)19-8)9-2-3-11(15)13-10(9)4-7-18-13;/h2-4,7H,5-6H2,1H3;1H
InChIKeyBOTBHYILBRDRIC-UHFFFAOYSA-N
MW371.30 g/mol
LogP4.73
Rot. Bonds1

About 3-(7-fluoro-1-benzothiophen-4-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide

3-(7-fluoro-1-benzothiophen-4-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide (PubChem CID 22474288) has the molecular formula C14H12BrFN2S2 and a molecular weight of 371.30 g/mol. Its IUPAC name is 3-(7-fluoro-1-benzothiophen-4-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide.

Molecular Properties

Compound Name3-(7-fluoro-1-benzothiophen-4-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide
PubChem CID22474288
Molecular FormulaC14H12BrFN2S2
Molecular Weight371.30 g/mol
Exact Mass369.96
IUPAC Name3-(7-fluoro-1-benzothiophen-4-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide
SMILESBr.CC1=C(c2ccc(F)c3sccc23)N2CCN=C2S1
InChIInChI=1S/C14H11FN2S2.BrH/c1-8-12(17-6-5-16-14(17)19-8)9-2-3-11(15)13-10(9)4-7-18-13;/h2-4,7H,5-6H2,1H3;1H
InChIKeyBOTBHYILBRDRIC-UHFFFAOYSA-N
XLogP4.73
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.30
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(7-fluoro-1-benzothiophen-4-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide?
The IUPAC name of 3-(7-fluoro-1-benzothiophen-4-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide (CID 22474288) is 3-(7-fluoro-1-benzothiophen-4-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide.
What is the SMILES notation for 3-(7-fluoro-1-benzothiophen-4-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide?
The canonical SMILES for 3-(7-fluoro-1-benzothiophen-4-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide is Br.CC1=C(c2ccc(F)c3sccc23)N2CCN=C2S1.
What is the InChIKey of 3-(7-fluoro-1-benzothiophen-4-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide?
The InChIKey is BOTBHYILBRDRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2S2.BrH/c1-8-12(17-6-5-16-14(17)19-8)9-2-3-11(15)13-10(9)4-7-18-13;/h2-4,7H,5-6H2,1H3;1H.
What are the key properties of 3-(7-fluoro-1-benzothiophen-4-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide?
3-(7-fluoro-1-benzothiophen-4-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide has a molecular weight of 371.30 g/mol, XLogP of 4.73, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-fluoro-1-benzothiophen-4-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide is sourced from PubChem (CID 22474288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).