2-(2,4-dichlorophenyl)-7,8-dimethylimidazo[2,1-b][1,3]benzothiazole

C17H12Cl2N2S — CID 19209733

IUPAC2-(2,4-dichlorophenyl)-7,8-dimethylimidazo[2,1-b][1,3]benzothiazole
SMILESCc1ccc2sc3nc(-c4ccc(Cl)cc4Cl)cn3c2c1C
InChIInChI=1S/C17H12Cl2N2S/c1-9-3-6-15-16(10(9)2)21-8-14(20-17(21)22-15)12-5-4-11(18)7-13(12)19/h3-8H,1-2H3
InChIKeyHARKJKOUEVLFOV-UHFFFAOYSA-N
MW347.27 g/mol
LogP6.14
Rot. Bonds1

About 2-(2,4-dichlorophenyl)-7,8-dimethylimidazo[2,1-b][1,3]benzothiazole

2-(2,4-dichlorophenyl)-7,8-dimethylimidazo[2,1-b][1,3]benzothiazole (PubChem CID 19209733) has the molecular formula C17H12Cl2N2S and a molecular weight of 347.27 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-7,8-dimethylimidazo[2,1-b][1,3]benzothiazole.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-7,8-dimethylimidazo[2,1-b][1,3]benzothiazole
PubChem CID19209733
Molecular FormulaC17H12Cl2N2S
Molecular Weight347.27 g/mol
Exact Mass346.01
IUPAC Name2-(2,4-dichlorophenyl)-7,8-dimethylimidazo[2,1-b][1,3]benzothiazole
SMILESCc1ccc2sc3nc(-c4ccc(Cl)cc4Cl)cn3c2c1C
InChIInChI=1S/C17H12Cl2N2S/c1-9-3-6-15-16(10(9)2)21-8-14(20-17(21)22-15)12-5-4-11(18)7-13(12)19/h3-8H,1-2H3
InChIKeyHARKJKOUEVLFOV-UHFFFAOYSA-N
XLogP6.14
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.27
LogP ≤ 56.14
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)-7,8-dimethylimidazo[2,1-b][1,3]benzothiazole?
The IUPAC name of 2-(2,4-dichlorophenyl)-7,8-dimethylimidazo[2,1-b][1,3]benzothiazole (CID 19209733) is 2-(2,4-dichlorophenyl)-7,8-dimethylimidazo[2,1-b][1,3]benzothiazole.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-7,8-dimethylimidazo[2,1-b][1,3]benzothiazole?
The canonical SMILES for 2-(2,4-dichlorophenyl)-7,8-dimethylimidazo[2,1-b][1,3]benzothiazole is Cc1ccc2sc3nc(-c4ccc(Cl)cc4Cl)cn3c2c1C.
What is the InChIKey of 2-(2,4-dichlorophenyl)-7,8-dimethylimidazo[2,1-b][1,3]benzothiazole?
The InChIKey is HARKJKOUEVLFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2S/c1-9-3-6-15-16(10(9)2)21-8-14(20-17(21)22-15)12-5-4-11(18)7-13(12)19/h3-8H,1-2H3.
What are the key properties of 2-(2,4-dichlorophenyl)-7,8-dimethylimidazo[2,1-b][1,3]benzothiazole?
2-(2,4-dichlorophenyl)-7,8-dimethylimidazo[2,1-b][1,3]benzothiazole has a molecular weight of 347.27 g/mol, XLogP of 6.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-7,8-dimethylimidazo[2,1-b][1,3]benzothiazole is sourced from PubChem (CID 19209733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).