2-(2-chlorophenyl)-8-methylimidazo[2,1-b][1,3]benzothiazole

C16H11ClN2S — CID 19209704

IUPAC2-(2-chlorophenyl)-8-methylimidazo[2,1-b][1,3]benzothiazole
SMILESCc1cccc2sc3nc(-c4ccccc4Cl)cn3c12
InChIInChI=1S/C16H11ClN2S/c1-10-5-4-8-14-15(10)19-9-13(18-16(19)20-14)11-6-2-3-7-12(11)17/h2-9H,1H3
InChIKeyINTPQJRKOZDZHH-UHFFFAOYSA-N
MW298.80 g/mol
LogP5.18
Rot. Bonds1

About 2-(2-chlorophenyl)-8-methylimidazo[2,1-b][1,3]benzothiazole

2-(2-chlorophenyl)-8-methylimidazo[2,1-b][1,3]benzothiazole (PubChem CID 19209704) has the molecular formula C16H11ClN2S and a molecular weight of 298.80 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-8-methylimidazo[2,1-b][1,3]benzothiazole.

Molecular Properties

Compound Name2-(2-chlorophenyl)-8-methylimidazo[2,1-b][1,3]benzothiazole
PubChem CID19209704
Molecular FormulaC16H11ClN2S
Molecular Weight298.80 g/mol
Exact Mass298.03
IUPAC Name2-(2-chlorophenyl)-8-methylimidazo[2,1-b][1,3]benzothiazole
SMILESCc1cccc2sc3nc(-c4ccccc4Cl)cn3c12
InChIInChI=1S/C16H11ClN2S/c1-10-5-4-8-14-15(10)19-9-13(18-16(19)20-14)11-6-2-3-7-12(11)17/h2-9H,1H3
InChIKeyINTPQJRKOZDZHH-UHFFFAOYSA-N
XLogP5.18
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.80
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-8-methylimidazo[2,1-b][1,3]benzothiazole?
The IUPAC name of 2-(2-chlorophenyl)-8-methylimidazo[2,1-b][1,3]benzothiazole (CID 19209704) is 2-(2-chlorophenyl)-8-methylimidazo[2,1-b][1,3]benzothiazole.
What is the SMILES notation for 2-(2-chlorophenyl)-8-methylimidazo[2,1-b][1,3]benzothiazole?
The canonical SMILES for 2-(2-chlorophenyl)-8-methylimidazo[2,1-b][1,3]benzothiazole is Cc1cccc2sc3nc(-c4ccccc4Cl)cn3c12.
What is the InChIKey of 2-(2-chlorophenyl)-8-methylimidazo[2,1-b][1,3]benzothiazole?
The InChIKey is INTPQJRKOZDZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2S/c1-10-5-4-8-14-15(10)19-9-13(18-16(19)20-14)11-6-2-3-7-12(11)17/h2-9H,1H3.
What are the key properties of 2-(2-chlorophenyl)-8-methylimidazo[2,1-b][1,3]benzothiazole?
2-(2-chlorophenyl)-8-methylimidazo[2,1-b][1,3]benzothiazole has a molecular weight of 298.80 g/mol, XLogP of 5.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-8-methylimidazo[2,1-b][1,3]benzothiazole is sourced from PubChem (CID 19209704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).