[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-imidazo[1,2-b]pyridazin-6-ylmethanone

C18H16N6OS — CID 146075253

IUPAC[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-imidazo[1,2-b]pyridazin-6-ylmethanone
SMILESO=C(c1ccc2nccn2n1)N1CCN(c2nsc3ccccc23)CC1
InChIInChI=1S/C18H16N6OS/c25-18(14-5-6-16-19-7-8-24(16)20-14)23-11-9-22(10-12-23)17-13-3-1-2-4-15(13)26-21-17/h1-8H,9-12H2
InChIKeyIMBXVLDKPNTNFG-UHFFFAOYSA-N
MW364.43 g/mol
LogP2.30
Rot. Bonds2

About [4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-imidazo[1,2-b]pyridazin-6-ylmethanone

[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-imidazo[1,2-b]pyridazin-6-ylmethanone (PubChem CID 146075253) has the molecular formula C18H16N6OS and a molecular weight of 364.43 g/mol. Its IUPAC name is [4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-imidazo[1,2-b]pyridazin-6-ylmethanone.

Molecular Properties

Compound Name[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-imidazo[1,2-b]pyridazin-6-ylmethanone
PubChem CID146075253
Molecular FormulaC18H16N6OS
Molecular Weight364.43 g/mol
Exact Mass364.11
IUPAC Name[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-imidazo[1,2-b]pyridazin-6-ylmethanone
SMILESO=C(c1ccc2nccn2n1)N1CCN(c2nsc3ccccc23)CC1
InChIInChI=1S/C18H16N6OS/c25-18(14-5-6-16-19-7-8-24(16)20-14)23-11-9-22(10-12-23)17-13-3-1-2-4-15(13)26-21-17/h1-8H,9-12H2
InChIKeyIMBXVLDKPNTNFG-UHFFFAOYSA-N
XLogP2.30
TPSA66.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-(2-methylimidazo[1,2-b]pyridazin-6-yl)methanone
CID 155799655
[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-5-yl)methanone
CID 162638112
[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 16764503
imidazo[1,2-b]pyridazin-6-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 146075154
[1-(2-aminoethyl)triazol-4-yl]-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]methanone
CID 70760236
1-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-3-(2-ethylimidazol-1-yl)-2-methylpropan-1-one
CID 46970094
1-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-2-methyl-2-pyrrol-1-ylpropan-1-one
CID 118775576
[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-(2,3,4,5-tetrahydro-1,6-benzodioxocin-8-yl)methanone
CID 4870859
5-[4-(1,2-benzothiazol-3-yl)piperazine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one
CID 91780975
3-pyrrolidin-1-yl-1,2-benzothiazole
CID 11074496
[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-[4-methoxy-3-(2-pyridin-2-ylethynyl)phenyl]methanone
CID 44515711
[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-(5-methoxy-2-methyl-4-pyridinyl)methanone
CID 146040720

Frequently Asked Questions

What is the IUPAC name of [4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-imidazo[1,2-b]pyridazin-6-ylmethanone?
The IUPAC name of [4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-imidazo[1,2-b]pyridazin-6-ylmethanone (CID 146075253) is [4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-imidazo[1,2-b]pyridazin-6-ylmethanone.
What is the SMILES notation for [4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-imidazo[1,2-b]pyridazin-6-ylmethanone?
The canonical SMILES for [4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-imidazo[1,2-b]pyridazin-6-ylmethanone is O=C(c1ccc2nccn2n1)N1CCN(c2nsc3ccccc23)CC1.
What is the InChIKey of [4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-imidazo[1,2-b]pyridazin-6-ylmethanone?
The InChIKey is IMBXVLDKPNTNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6OS/c25-18(14-5-6-16-19-7-8-24(16)20-14)23-11-9-22(10-12-23)17-13-3-1-2-4-15(13)26-21-17/h1-8H,9-12H2.
What are the key properties of [4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-imidazo[1,2-b]pyridazin-6-ylmethanone?
[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-imidazo[1,2-b]pyridazin-6-ylmethanone has a molecular weight of 364.43 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-imidazo[1,2-b]pyridazin-6-ylmethanone is sourced from PubChem (CID 146075253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).