3-(6-chloro-1-benzothiophen-2-yl)-2-ethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;3-(6-chloro-1-benzothiophen-2-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole

C29H24Cl2N4S4 — CID 158780812

IUPAC3-(6-chloro-1-benzothiophen-2-yl)-2-ethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;3-(6-chloro-1-benzothiophen-2-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
SMILESCC1=C(c2cc3ccc(Cl)cc3s2)N2CCN=C2S1.CCC1=C(c2cc3ccc(Cl)cc3s2)N2CCN=C2S1
InChIInChI=1S/C15H13ClN2S2.C14H11ClN2S2/c1-2-11-14(18-6-5-17-15(18)20-11)13-7-9-3-4-10(16)8-12(9)19-13;1-8-13(17-5-4-16-14(17)18-8)12-6-9-2-3-10(15)7-11(9)19-12/h3-4,7-8H,2,5-6H2,1H3;2-3,6-7H,4-5H2,1H3
InChIKeyIRBBPHOFFDYEGA-UHFFFAOYSA-N
MW627.71 g/mol
LogP9.71
Rot. Bonds3

About 3-(6-chloro-1-benzothiophen-2-yl)-2-ethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;3-(6-chloro-1-benzothiophen-2-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole

3-(6-chloro-1-benzothiophen-2-yl)-2-ethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;3-(6-chloro-1-benzothiophen-2-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole (PubChem CID 158780812) has the molecular formula C29H24Cl2N4S4 and a molecular weight of 627.71 g/mol. Its IUPAC name is 3-(6-chloro-1-benzothiophen-2-yl)-2-ethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;3-(6-chloro-1-benzothiophen-2-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name3-(6-chloro-1-benzothiophen-2-yl)-2-ethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;3-(6-chloro-1-benzothiophen-2-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
PubChem CID158780812
Molecular FormulaC29H24Cl2N4S4
Molecular Weight627.71 g/mol
Exact Mass626.03
IUPAC Name3-(6-chloro-1-benzothiophen-2-yl)-2-ethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;3-(6-chloro-1-benzothiophen-2-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
SMILESCC1=C(c2cc3ccc(Cl)cc3s2)N2CCN=C2S1.CCC1=C(c2cc3ccc(Cl)cc3s2)N2CCN=C2S1
InChIInChI=1S/C15H13ClN2S2.C14H11ClN2S2/c1-2-11-14(18-6-5-17-15(18)20-11)13-7-9-3-4-10(16)8-12(9)19-13;1-8-13(17-5-4-16-14(17)18-8)12-6-9-2-3-10(15)7-11(9)19-12/h3-4,7-8H,2,5-6H2,1H3;2-3,6-7H,4-5H2,1H3
InChIKeyIRBBPHOFFDYEGA-UHFFFAOYSA-N
XLogP9.71
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.71
LogP ≤ 59.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-1-benzothiophen-2-yl)-2-ethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;3-(6-chloro-1-benzothiophen-2-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 3-(6-chloro-1-benzothiophen-2-yl)-2-ethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;3-(6-chloro-1-benzothiophen-2-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole (CID 158780812) is 3-(6-chloro-1-benzothiophen-2-yl)-2-ethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;3-(6-chloro-1-benzothiophen-2-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 3-(6-chloro-1-benzothiophen-2-yl)-2-ethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;3-(6-chloro-1-benzothiophen-2-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 3-(6-chloro-1-benzothiophen-2-yl)-2-ethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;3-(6-chloro-1-benzothiophen-2-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole is CC1=C(c2cc3ccc(Cl)cc3s2)N2CCN=C2S1.CCC1=C(c2cc3ccc(Cl)cc3s2)N2CCN=C2S1.
What is the InChIKey of 3-(6-chloro-1-benzothiophen-2-yl)-2-ethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;3-(6-chloro-1-benzothiophen-2-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The InChIKey is IRBBPHOFFDYEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2S2.C14H11ClN2S2/c1-2-11-14(18-6-5-17-15(18)20-11)13-7-9-3-4-10(16)8-12(9)19-13;1-8-13(17-5-4-16-14(17)18-8)12-6-9-2-3-10(15)7-11(9)19-12/h3-4,7-8H,2,5-6H2,1H3;2-3,6-7H,4-5H2,1H3.
What are the key properties of 3-(6-chloro-1-benzothiophen-2-yl)-2-ethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;3-(6-chloro-1-benzothiophen-2-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
3-(6-chloro-1-benzothiophen-2-yl)-2-ethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;3-(6-chloro-1-benzothiophen-2-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole has a molecular weight of 627.71 g/mol, XLogP of 9.71, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-1-benzothiophen-2-yl)-2-ethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;3-(6-chloro-1-benzothiophen-2-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 158780812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).