6-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-2-(4-methylpiperazin-1-yl)-1,3-benzothiazole

C18H17ClN6S — CID 89494307

IUPAC6-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-2-(4-methylpiperazin-1-yl)-1,3-benzothiazole
SMILESCN1CCN(c2nc3ccc(-c4cnc5ccc(Cl)nn45)cc3s2)CC1
InChIInChI=1S/C18H17ClN6S/c1-23-6-8-24(9-7-23)18-21-13-3-2-12(10-15(13)26-18)14-11-20-17-5-4-16(19)22-25(14)17/h2-5,10-11H,6-9H2,1H3
InChIKeyKVIXMMCSRHCLAY-UHFFFAOYSA-N
MW384.90 g/mol
LogP3.41
Rot. Bonds2

About 6-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-2-(4-methylpiperazin-1-yl)-1,3-benzothiazole

6-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-2-(4-methylpiperazin-1-yl)-1,3-benzothiazole (PubChem CID 89494307) has the molecular formula C18H17ClN6S and a molecular weight of 384.90 g/mol. Its IUPAC name is 6-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-2-(4-methylpiperazin-1-yl)-1,3-benzothiazole.

Molecular Properties

Compound Name6-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-2-(4-methylpiperazin-1-yl)-1,3-benzothiazole
PubChem CID89494307
Molecular FormulaC18H17ClN6S
Molecular Weight384.90 g/mol
Exact Mass384.09
IUPAC Name6-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-2-(4-methylpiperazin-1-yl)-1,3-benzothiazole
SMILESCN1CCN(c2nc3ccc(-c4cnc5ccc(Cl)nn45)cc3s2)CC1
InChIInChI=1S/C18H17ClN6S/c1-23-6-8-24(9-7-23)18-21-13-3-2-12(10-15(13)26-18)14-11-20-17-5-4-16(19)22-25(14)17/h2-5,10-11H,6-9H2,1H3
InChIKeyKVIXMMCSRHCLAY-UHFFFAOYSA-N
XLogP3.41
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.90
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-2-(4-methylpiperazin-1-yl)-1,3-benzothiazole?
The IUPAC name of 6-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-2-(4-methylpiperazin-1-yl)-1,3-benzothiazole (CID 89494307) is 6-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-2-(4-methylpiperazin-1-yl)-1,3-benzothiazole.
What is the SMILES notation for 6-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-2-(4-methylpiperazin-1-yl)-1,3-benzothiazole?
The canonical SMILES for 6-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-2-(4-methylpiperazin-1-yl)-1,3-benzothiazole is CN1CCN(c2nc3ccc(-c4cnc5ccc(Cl)nn45)cc3s2)CC1.
What is the InChIKey of 6-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-2-(4-methylpiperazin-1-yl)-1,3-benzothiazole?
The InChIKey is KVIXMMCSRHCLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN6S/c1-23-6-8-24(9-7-23)18-21-13-3-2-12(10-15(13)26-18)14-11-20-17-5-4-16(19)22-25(14)17/h2-5,10-11H,6-9H2,1H3.
What are the key properties of 6-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-2-(4-methylpiperazin-1-yl)-1,3-benzothiazole?
6-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-2-(4-methylpiperazin-1-yl)-1,3-benzothiazole has a molecular weight of 384.90 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-2-(4-methylpiperazin-1-yl)-1,3-benzothiazole is sourced from PubChem (CID 89494307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).