2-(2,4-dichlorophenyl)-6-ethylimidazo[2,1-b][1,3]benzothiazole

C17H12Cl2N2S — CID 4837145

IUPAC2-(2,4-dichlorophenyl)-6-ethylimidazo[2,1-b][1,3]benzothiazole
SMILESCCc1ccc2c(c1)sc1nc(-c3ccc(Cl)cc3Cl)cn12
InChIInChI=1S/C17H12Cl2N2S/c1-2-10-3-6-15-16(7-10)22-17-20-14(9-21(15)17)12-5-4-11(18)8-13(12)19/h3-9H,2H2,1H3
InChIKeyKMCXWRGZRDZQBY-UHFFFAOYSA-N
MW347.27 g/mol
LogP6.09
Rot. Bonds2

About 2-(2,4-dichlorophenyl)-6-ethylimidazo[2,1-b][1,3]benzothiazole

2-(2,4-dichlorophenyl)-6-ethylimidazo[2,1-b][1,3]benzothiazole (PubChem CID 4837145) has the molecular formula C17H12Cl2N2S and a molecular weight of 347.27 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-6-ethylimidazo[2,1-b][1,3]benzothiazole.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-6-ethylimidazo[2,1-b][1,3]benzothiazole
PubChem CID4837145
Molecular FormulaC17H12Cl2N2S
Molecular Weight347.27 g/mol
Exact Mass346.01
IUPAC Name2-(2,4-dichlorophenyl)-6-ethylimidazo[2,1-b][1,3]benzothiazole
SMILESCCc1ccc2c(c1)sc1nc(-c3ccc(Cl)cc3Cl)cn12
InChIInChI=1S/C17H12Cl2N2S/c1-2-10-3-6-15-16(7-10)22-17-20-14(9-21(15)17)12-5-4-11(18)8-13(12)19/h3-9H,2H2,1H3
InChIKeyKMCXWRGZRDZQBY-UHFFFAOYSA-N
XLogP6.09
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.27
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-6-ethylimidazo[2,1-b][1,3]benzothiazole?
The IUPAC name of 2-(2,4-dichlorophenyl)-6-ethylimidazo[2,1-b][1,3]benzothiazole (CID 4837145) is 2-(2,4-dichlorophenyl)-6-ethylimidazo[2,1-b][1,3]benzothiazole.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-6-ethylimidazo[2,1-b][1,3]benzothiazole?
The canonical SMILES for 2-(2,4-dichlorophenyl)-6-ethylimidazo[2,1-b][1,3]benzothiazole is CCc1ccc2c(c1)sc1nc(-c3ccc(Cl)cc3Cl)cn12.
What is the InChIKey of 2-(2,4-dichlorophenyl)-6-ethylimidazo[2,1-b][1,3]benzothiazole?
The InChIKey is KMCXWRGZRDZQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2S/c1-2-10-3-6-15-16(7-10)22-17-20-14(9-21(15)17)12-5-4-11(18)8-13(12)19/h3-9H,2H2,1H3.
What are the key properties of 2-(2,4-dichlorophenyl)-6-ethylimidazo[2,1-b][1,3]benzothiazole?
2-(2,4-dichlorophenyl)-6-ethylimidazo[2,1-b][1,3]benzothiazole has a molecular weight of 347.27 g/mol, XLogP of 6.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-6-ethylimidazo[2,1-b][1,3]benzothiazole is sourced from PubChem (CID 4837145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).