1,3-benzothiazol-2-yl-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone

C19H18N6OS — CID 126910007

IUPAC1,3-benzothiazol-2-yl-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone
SMILESCc1ccc2nnc(C3CCN(C(=O)c4nc5ccccc5s4)CC3)n2n1
InChIInChI=1S/C19H18N6OS/c1-12-6-7-16-21-22-17(25(16)23-12)13-8-10-24(11-9-13)19(26)18-20-14-4-2-3-5-15(14)27-18/h2-7,13H,8-11H2,1H3
InChIKeyVPHDPYKAHBADNF-UHFFFAOYSA-N
MW378.46 g/mol
LogP3.06
Rot. Bonds2

About 1,3-benzothiazol-2-yl-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone

1,3-benzothiazol-2-yl-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone (PubChem CID 126910007) has the molecular formula C19H18N6OS and a molecular weight of 378.46 g/mol. Its IUPAC name is 1,3-benzothiazol-2-yl-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name1,3-benzothiazol-2-yl-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone
PubChem CID126910007
Molecular FormulaC19H18N6OS
Molecular Weight378.46 g/mol
Exact Mass378.13
IUPAC Name1,3-benzothiazol-2-yl-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone
SMILESCc1ccc2nnc(C3CCN(C(=O)c4nc5ccccc5s4)CC3)n2n1
InChIInChI=1S/C19H18N6OS/c1-12-6-7-16-21-22-17(25(16)23-12)13-8-10-24(11-9-13)19(26)18-20-14-4-2-3-5-15(14)27-18/h2-7,13H,8-11H2,1H3
InChIKeyVPHDPYKAHBADNF-UHFFFAOYSA-N
XLogP3.06
TPSA76.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-morpholin-4-ylmethanone
CID 126910021
[6-(dimethylamino)pyridazin-3-yl]-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone
CID 126910050
1,3-benzothiazol-2-yl-[4-(1,3-oxazol-2-yl)piperidin-1-yl]methanone
CID 126857975
[4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]-quinolin-2-ylmethanone
CID 126911837
2,3-dihydro-1,4-benzodioxin-3-yl-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone
CID 126855939
1,3-benzothiazol-2-yl-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 126889184
1-[4-(1,3-benzothiazole-2-carbonyl)piperazin-1-yl]-2-methylpropan-1-one
CID 100816307
[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)methanone
CID 126910040
1-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-2-(oxolan-2-yl)ethanone
CID 126910018
4-[1-(1,3-benzothiazole-2-carbonyl)piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one
CID 121156264
1,3-benzothiazol-2-yl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90617145
4-methyl-2-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1,3-thiazole
CID 126910391

Frequently Asked Questions

What is the IUPAC name of 1,3-benzothiazol-2-yl-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone?
The IUPAC name of 1,3-benzothiazol-2-yl-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone (CID 126910007) is 1,3-benzothiazol-2-yl-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for 1,3-benzothiazol-2-yl-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for 1,3-benzothiazol-2-yl-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone is Cc1ccc2nnc(C3CCN(C(=O)c4nc5ccccc5s4)CC3)n2n1.
What is the InChIKey of 1,3-benzothiazol-2-yl-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone?
The InChIKey is VPHDPYKAHBADNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6OS/c1-12-6-7-16-21-22-17(25(16)23-12)13-8-10-24(11-9-13)19(26)18-20-14-4-2-3-5-15(14)27-18/h2-7,13H,8-11H2,1H3.
What are the key properties of 1,3-benzothiazol-2-yl-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone?
1,3-benzothiazol-2-yl-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone has a molecular weight of 378.46 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzothiazol-2-yl-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 126910007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).