6-butyl-2-(2-chlorophenyl)imidazo[2,1-b][1,3]benzothiazole

C19H17ClN2S — CID 19209863

IUPAC6-butyl-2-(2-chlorophenyl)imidazo[2,1-b][1,3]benzothiazole
SMILESCCCCc1ccc2c(c1)sc1nc(-c3ccccc3Cl)cn12
InChIInChI=1S/C19H17ClN2S/c1-2-3-6-13-9-10-17-18(11-13)23-19-21-16(12-22(17)19)14-7-4-5-8-15(14)20/h4-5,7-12H,2-3,6H2,1H3
InChIKeyRWYIXJGJKYWUTF-UHFFFAOYSA-N
MW340.88 g/mol
LogP6.21
Rot. Bonds4

About 6-butyl-2-(2-chlorophenyl)imidazo[2,1-b][1,3]benzothiazole

6-butyl-2-(2-chlorophenyl)imidazo[2,1-b][1,3]benzothiazole (PubChem CID 19209863) has the molecular formula C19H17ClN2S and a molecular weight of 340.88 g/mol. Its IUPAC name is 6-butyl-2-(2-chlorophenyl)imidazo[2,1-b][1,3]benzothiazole.

Molecular Properties

Compound Name6-butyl-2-(2-chlorophenyl)imidazo[2,1-b][1,3]benzothiazole
PubChem CID19209863
Molecular FormulaC19H17ClN2S
Molecular Weight340.88 g/mol
Exact Mass340.08
IUPAC Name6-butyl-2-(2-chlorophenyl)imidazo[2,1-b][1,3]benzothiazole
SMILESCCCCc1ccc2c(c1)sc1nc(-c3ccccc3Cl)cn12
InChIInChI=1S/C19H17ClN2S/c1-2-3-6-13-9-10-17-18(11-13)23-19-21-16(12-22(17)19)14-7-4-5-8-15(14)20/h4-5,7-12H,2-3,6H2,1H3
InChIKeyRWYIXJGJKYWUTF-UHFFFAOYSA-N
XLogP6.21
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.88
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-butyl-2-(2-chlorophenyl)imidazo[2,1-b][1,3]benzothiazole?
The IUPAC name of 6-butyl-2-(2-chlorophenyl)imidazo[2,1-b][1,3]benzothiazole (CID 19209863) is 6-butyl-2-(2-chlorophenyl)imidazo[2,1-b][1,3]benzothiazole.
What is the SMILES notation for 6-butyl-2-(2-chlorophenyl)imidazo[2,1-b][1,3]benzothiazole?
The canonical SMILES for 6-butyl-2-(2-chlorophenyl)imidazo[2,1-b][1,3]benzothiazole is CCCCc1ccc2c(c1)sc1nc(-c3ccccc3Cl)cn12.
What is the InChIKey of 6-butyl-2-(2-chlorophenyl)imidazo[2,1-b][1,3]benzothiazole?
The InChIKey is RWYIXJGJKYWUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2S/c1-2-3-6-13-9-10-17-18(11-13)23-19-21-16(12-22(17)19)14-7-4-5-8-15(14)20/h4-5,7-12H,2-3,6H2,1H3.
What are the key properties of 6-butyl-2-(2-chlorophenyl)imidazo[2,1-b][1,3]benzothiazole?
6-butyl-2-(2-chlorophenyl)imidazo[2,1-b][1,3]benzothiazole has a molecular weight of 340.88 g/mol, XLogP of 6.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-2-(2-chlorophenyl)imidazo[2,1-b][1,3]benzothiazole is sourced from PubChem (CID 19209863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).