1,3-benzothiazol-6-yl-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone

C22H26N6OS — CID 122335774

IUPAC1,3-benzothiazol-6-yl-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
SMILESCC1CCCCN1c1ccc(N2CCN(C(=O)c3ccc4ncsc4c3)CC2)nn1
InChIInChI=1S/C22H26N6OS/c1-16-4-2-3-9-28(16)21-8-7-20(24-25-21)26-10-12-27(13-11-26)22(29)17-5-6-18-19(14-17)30-15-23-18/h5-8,14-16H,2-4,9-13H2,1H3
InChIKeyAZAWOJOSFPHRFU-UHFFFAOYSA-N
MW422.56 g/mol
LogP3.43
Rot. Bonds3

About 1,3-benzothiazol-6-yl-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone

1,3-benzothiazol-6-yl-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone (PubChem CID 122335774) has the molecular formula C22H26N6OS and a molecular weight of 422.56 g/mol. Its IUPAC name is 1,3-benzothiazol-6-yl-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name1,3-benzothiazol-6-yl-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
PubChem CID122335774
Molecular FormulaC22H26N6OS
Molecular Weight422.56 g/mol
Exact Mass422.19
IUPAC Name1,3-benzothiazol-6-yl-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
SMILESCC1CCCCN1c1ccc(N2CCN(C(=O)c3ccc4ncsc4c3)CC2)nn1
InChIInChI=1S/C22H26N6OS/c1-16-4-2-3-9-28(16)21-8-7-20(24-25-21)26-10-12-27(13-11-26)22(29)17-5-6-18-19(14-17)30-15-23-18/h5-8,14-16H,2-4,9-13H2,1H3
InChIKeyAZAWOJOSFPHRFU-UHFFFAOYSA-N
XLogP3.43
TPSA65.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.56
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-quinoxalin-6-ylmethanone
CID 122335889
[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-naphthalen-2-ylmethanone
CID 121053897
(3-methylphenyl)-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121053406
(3-fluoro-4-methylphenyl)-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122335846
[4-(dimethylamino)phenyl]-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122335819
1-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 121053393
[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(3-pyrazol-1-ylphenyl)methanone
CID 122335890
1,3-benzothiazol-6-yl-[4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 122333254
[2-(2-methylpiperidin-1-yl)-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 166191035
1,3-benzothiazol-6-yl-[4-(methylamino)piperidin-1-yl]methanone
CID 119562736
1,3-benzothiazol-6-yl-(4-phenylpiperazin-1-yl)methanone
CID 2496275
methyl 1-(1,3-benzothiazole-6-carbonyl)piperidine-4-carboxylate
CID 43404805

Frequently Asked Questions

What is the IUPAC name of 1,3-benzothiazol-6-yl-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone?
The IUPAC name of 1,3-benzothiazol-6-yl-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone (CID 122335774) is 1,3-benzothiazol-6-yl-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone.
What is the SMILES notation for 1,3-benzothiazol-6-yl-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone?
The canonical SMILES for 1,3-benzothiazol-6-yl-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone is CC1CCCCN1c1ccc(N2CCN(C(=O)c3ccc4ncsc4c3)CC2)nn1.
What is the InChIKey of 1,3-benzothiazol-6-yl-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone?
The InChIKey is AZAWOJOSFPHRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6OS/c1-16-4-2-3-9-28(16)21-8-7-20(24-25-21)26-10-12-27(13-11-26)22(29)17-5-6-18-19(14-17)30-15-23-18/h5-8,14-16H,2-4,9-13H2,1H3.
What are the key properties of 1,3-benzothiazol-6-yl-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone?
1,3-benzothiazol-6-yl-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone has a molecular weight of 422.56 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzothiazol-6-yl-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 122335774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).