6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methyl]pyridazin-3-one

C20H24N6OS — CID 155798861

IUPAC6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methyl]pyridazin-3-one
SMILESCc1cnc(N2CCC(Cn3nc(-c4sc(C)nc4C)ccc3=O)CC2)nc1
InChIInChI=1S/C20H24N6OS/c1-13-10-21-20(22-11-13)25-8-6-16(7-9-25)12-26-18(27)5-4-17(24-26)19-14(2)23-15(3)28-19/h4-5,10-11,16H,6-9,12H2,1-3H3
InChIKeyGUGWBEYLZGCCME-UHFFFAOYSA-N
MW396.52 g/mol
LogP3.00
Rot. Bonds4

About 6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methyl]pyridazin-3-one

6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methyl]pyridazin-3-one (PubChem CID 155798861) has the molecular formula C20H24N6OS and a molecular weight of 396.52 g/mol. Its IUPAC name is 6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methyl]pyridazin-3-one
PubChem CID155798861
Molecular FormulaC20H24N6OS
Molecular Weight396.52 g/mol
Exact Mass396.17
IUPAC Name6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methyl]pyridazin-3-one
SMILESCc1cnc(N2CCC(Cn3nc(-c4sc(C)nc4C)ccc3=O)CC2)nc1
InChIInChI=1S/C20H24N6OS/c1-13-10-21-20(22-11-13)25-8-6-16(7-9-25)12-26-18(27)5-4-17(24-26)19-14(2)23-15(3)28-19/h4-5,10-11,16H,6-9,12H2,1-3H3
InChIKeyGUGWBEYLZGCCME-UHFFFAOYSA-N
XLogP3.00
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methyl]pyridazin-3-one?
The IUPAC name of 6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methyl]pyridazin-3-one (CID 155798861) is 6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methyl]pyridazin-3-one is Cc1cnc(N2CCC(Cn3nc(-c4sc(C)nc4C)ccc3=O)CC2)nc1.
What is the InChIKey of 6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methyl]pyridazin-3-one?
The InChIKey is GUGWBEYLZGCCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6OS/c1-13-10-21-20(22-11-13)25-8-6-16(7-9-25)12-26-18(27)5-4-17(24-26)19-14(2)23-15(3)28-19/h4-5,10-11,16H,6-9,12H2,1-3H3.
What are the key properties of 6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methyl]pyridazin-3-one?
6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methyl]pyridazin-3-one has a molecular weight of 396.52 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 155798861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).