2-[[1-[2-hydroxy-2-(1,3-thiazol-4-yl)ethyl]piperidin-4-yl]methyl]-6-methylpyridazin-3-one

C16H22N4O2S — CID 126864202

IUPAC2-[[1-[2-hydroxy-2-(1,3-thiazol-4-yl)ethyl]piperidin-4-yl]methyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(CC2CCN(CC(O)c3cscn3)CC2)n1
InChIInChI=1S/C16H22N4O2S/c1-12-2-3-16(22)20(18-12)8-13-4-6-19(7-5-13)9-15(21)14-10-23-11-17-14/h2-3,10-11,13,15,21H,4-9H2,1H3
InChIKeyUXJWLJPBBSJGLE-UHFFFAOYSA-N
MW334.44 g/mol
LogP1.45
Rot. Bonds5

About 2-[[1-[2-hydroxy-2-(1,3-thiazol-4-yl)ethyl]piperidin-4-yl]methyl]-6-methylpyridazin-3-one

2-[[1-[2-hydroxy-2-(1,3-thiazol-4-yl)ethyl]piperidin-4-yl]methyl]-6-methylpyridazin-3-one (PubChem CID 126864202) has the molecular formula C16H22N4O2S and a molecular weight of 334.44 g/mol. Its IUPAC name is 2-[[1-[2-hydroxy-2-(1,3-thiazol-4-yl)ethyl]piperidin-4-yl]methyl]-6-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[[1-[2-hydroxy-2-(1,3-thiazol-4-yl)ethyl]piperidin-4-yl]methyl]-6-methylpyridazin-3-one
PubChem CID126864202
Molecular FormulaC16H22N4O2S
Molecular Weight334.44 g/mol
Exact Mass334.15
IUPAC Name2-[[1-[2-hydroxy-2-(1,3-thiazol-4-yl)ethyl]piperidin-4-yl]methyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(CC2CCN(CC(O)c3cscn3)CC2)n1
InChIInChI=1S/C16H22N4O2S/c1-12-2-3-16(22)20(18-12)8-13-4-6-19(7-5-13)9-15(21)14-10-23-11-17-14/h2-3,10-11,13,15,21H,4-9H2,1H3
InChIKeyUXJWLJPBBSJGLE-UHFFFAOYSA-N
XLogP1.45
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[[1-[2-hydroxy-2-(1,3-thiazol-4-yl)ethyl]piperidin-4-yl]methyl]-6-methylpyridazin-3-one with MolForge

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Related Compounds

2-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one
CID 126863941
2-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one
CID 126863942
6-methyl-2-[[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one
CID 126864051
6-methyl-2-[[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126863870
2-[[1-[(5-cyclopropyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-6-methylpyridazin-3-one
CID 126864090
2-[[1-[(2-cyclopropylpyrimidin-5-yl)methyl]piperidin-4-yl]methyl]-6-methylpyridazin-3-one
CID 126864046
6-methyl-2-[[1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one
CID 126864091
4-[4-[(3-methyl-6-oxopyridazin-1-yl)methyl]piperidin-1-yl]pyridine-2-carboxamide
CID 126863928
6-methyl-2-(piperidin-4-ylmethyl)pyridazin-3-one
CID 62922665
6-methyl-2-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126863975
6-methyl-2-[[1-(1,2,5-oxadiazol-3-ylmethyl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126864063
2-[[1-(cyclopentylmethyl)azetidin-3-yl]methyl]-6-methylpyridazin-3-one
CID 126927179

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[2-hydroxy-2-(1,3-thiazol-4-yl)ethyl]piperidin-4-yl]methyl]-6-methylpyridazin-3-one?
The IUPAC name of 2-[[1-[2-hydroxy-2-(1,3-thiazol-4-yl)ethyl]piperidin-4-yl]methyl]-6-methylpyridazin-3-one (CID 126864202) is 2-[[1-[2-hydroxy-2-(1,3-thiazol-4-yl)ethyl]piperidin-4-yl]methyl]-6-methylpyridazin-3-one.
What is the SMILES notation for 2-[[1-[2-hydroxy-2-(1,3-thiazol-4-yl)ethyl]piperidin-4-yl]methyl]-6-methylpyridazin-3-one?
The canonical SMILES for 2-[[1-[2-hydroxy-2-(1,3-thiazol-4-yl)ethyl]piperidin-4-yl]methyl]-6-methylpyridazin-3-one is Cc1ccc(=O)n(CC2CCN(CC(O)c3cscn3)CC2)n1.
What is the InChIKey of 2-[[1-[2-hydroxy-2-(1,3-thiazol-4-yl)ethyl]piperidin-4-yl]methyl]-6-methylpyridazin-3-one?
The InChIKey is UXJWLJPBBSJGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-12-2-3-16(22)20(18-12)8-13-4-6-19(7-5-13)9-15(21)14-10-23-11-17-14/h2-3,10-11,13,15,21H,4-9H2,1H3.
What are the key properties of 2-[[1-[2-hydroxy-2-(1,3-thiazol-4-yl)ethyl]piperidin-4-yl]methyl]-6-methylpyridazin-3-one?
2-[[1-[2-hydroxy-2-(1,3-thiazol-4-yl)ethyl]piperidin-4-yl]methyl]-6-methylpyridazin-3-one has a molecular weight of 334.44 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[2-hydroxy-2-(1,3-thiazol-4-yl)ethyl]piperidin-4-yl]methyl]-6-methylpyridazin-3-one is sourced from PubChem (CID 126864202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).