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

C14H11BrCl2N2S2 — CID 10159221

IUPAC3-(4,5-dichloro-1-benzothiophen-2-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide
SMILESBr.CC1=C(c2cc3c(Cl)c(Cl)ccc3s2)N2CCN=C2S1
InChIInChI=1S/C14H10Cl2N2S2.BrH/c1-7-13(18-5-4-17-14(18)19-7)11-6-8-10(20-11)3-2-9(15)12(8)16;/h2-3,6H,4-5H2,1H3;1H
InChIKeyCJKQEEKMWYOHDF-UHFFFAOYSA-N
MW422.20 g/mol
LogP5.89
Rot. Bonds1

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

3-(4,5-dichloro-1-benzothiophen-2-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide (PubChem CID 10159221) has the molecular formula C14H11BrCl2N2S2 and a molecular weight of 422.20 g/mol. Its IUPAC name is 3-(4,5-dichloro-1-benzothiophen-2-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide.

Molecular Properties

Compound Name3-(4,5-dichloro-1-benzothiophen-2-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide
PubChem CID10159221
Molecular FormulaC14H11BrCl2N2S2
Molecular Weight422.20 g/mol
Exact Mass419.89
IUPAC Name3-(4,5-dichloro-1-benzothiophen-2-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide
SMILESBr.CC1=C(c2cc3c(Cl)c(Cl)ccc3s2)N2CCN=C2S1
InChIInChI=1S/C14H10Cl2N2S2.BrH/c1-7-13(18-5-4-17-14(18)19-7)11-6-8-10(20-11)3-2-9(15)12(8)16;/h2-3,6H,4-5H2,1H3;1H
InChIKeyCJKQEEKMWYOHDF-UHFFFAOYSA-N
XLogP5.89
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.20
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(4,5-dichloro-1-benzothiophen-2-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dichloro-1-benzothiophen-2-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide?
The IUPAC name of 3-(4,5-dichloro-1-benzothiophen-2-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide (CID 10159221) is 3-(4,5-dichloro-1-benzothiophen-2-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide.
What is the SMILES notation for 3-(4,5-dichloro-1-benzothiophen-2-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide?
The canonical SMILES for 3-(4,5-dichloro-1-benzothiophen-2-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide is Br.CC1=C(c2cc3c(Cl)c(Cl)ccc3s2)N2CCN=C2S1.
What is the InChIKey of 3-(4,5-dichloro-1-benzothiophen-2-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide?
The InChIKey is CJKQEEKMWYOHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2S2.BrH/c1-7-13(18-5-4-17-14(18)19-7)11-6-8-10(20-11)3-2-9(15)12(8)16;/h2-3,6H,4-5H2,1H3;1H.
What are the key properties of 3-(4,5-dichloro-1-benzothiophen-2-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide?
3-(4,5-dichloro-1-benzothiophen-2-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide has a molecular weight of 422.20 g/mol, XLogP of 5.89, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dichloro-1-benzothiophen-2-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide is sourced from PubChem (CID 10159221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).