2,5,6-trimethyl-4-[4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]pyridazin-3-one

C20H24N6OS — CID 120754893

IUPAC2,5,6-trimethyl-4-[4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]pyridazin-3-one
SMILESCc1nn(C)c(=O)c(-c2nc(CN3CCNCC3c3cccnc3)cs2)c1C
InChIInChI=1S/C20H24N6OS/c1-13-14(2)24-25(3)20(27)18(13)19-23-16(12-28-19)11-26-8-7-22-10-17(26)15-5-4-6-21-9-15/h4-6,9,12,17,22H,7-8,10-11H2,1-3H3
InChIKeyMUAHTATWDNPIKE-UHFFFAOYSA-N
MW396.52 g/mol
LogP2.06
Rot. Bonds4

About 2,5,6-trimethyl-4-[4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]pyridazin-3-one

2,5,6-trimethyl-4-[4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]pyridazin-3-one (PubChem CID 120754893) has the molecular formula C20H24N6OS and a molecular weight of 396.52 g/mol. Its IUPAC name is 2,5,6-trimethyl-4-[4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]pyridazin-3-one.

Molecular Properties

Compound Name2,5,6-trimethyl-4-[4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]pyridazin-3-one
PubChem CID120754893
Molecular FormulaC20H24N6OS
Molecular Weight396.52 g/mol
Exact Mass396.17
IUPAC Name2,5,6-trimethyl-4-[4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]pyridazin-3-one
SMILESCc1nn(C)c(=O)c(-c2nc(CN3CCNCC3c3cccnc3)cs2)c1C
InChIInChI=1S/C20H24N6OS/c1-13-14(2)24-25(3)20(27)18(13)19-23-16(12-28-19)11-26-8-7-22-10-17(26)15-5-4-6-21-9-15/h4-6,9,12,17,22H,7-8,10-11H2,1-3H3
InChIKeyMUAHTATWDNPIKE-UHFFFAOYSA-N
XLogP2.06
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2,5,6-trimethyl-4-[4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]pyridazin-3-one;dihydrochloride
CID 120871062
2-(2-methoxyphenyl)-4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 120754903
2-(4-ethoxyphenyl)-4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-thiazole;dihydrochloride
CID 120754702
2-(1-ethoxyethyl)-4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 120754439
1-[(2,6-dimethylphenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754734
2-[(4-fluorophenoxy)methyl]-4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride
CID 120754970
4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]thiadiazole;hydrochloride
CID 120767683
3-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,2-oxazole;hydrochloride
CID 120755446
2-(2-pyridin-3-ylpiperazin-1-yl)ethanamine
CID 120754253
2-pyridin-3-yl-1-(pyridin-2-ylmethyl)piperazine;hydrochloride
CID 120768365
2-pyridin-3-yl-1-(pyridin-4-ylmethyl)piperazine
CID 120768078
1-[(4-methoxyphenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120768234

Frequently Asked Questions

What is the IUPAC name of 2,5,6-trimethyl-4-[4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]pyridazin-3-one?
The IUPAC name of 2,5,6-trimethyl-4-[4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]pyridazin-3-one (CID 120754893) is 2,5,6-trimethyl-4-[4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]pyridazin-3-one.
What is the SMILES notation for 2,5,6-trimethyl-4-[4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]pyridazin-3-one?
The canonical SMILES for 2,5,6-trimethyl-4-[4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]pyridazin-3-one is Cc1nn(C)c(=O)c(-c2nc(CN3CCNCC3c3cccnc3)cs2)c1C.
What is the InChIKey of 2,5,6-trimethyl-4-[4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]pyridazin-3-one?
The InChIKey is MUAHTATWDNPIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6OS/c1-13-14(2)24-25(3)20(27)18(13)19-23-16(12-28-19)11-26-8-7-22-10-17(26)15-5-4-6-21-9-15/h4-6,9,12,17,22H,7-8,10-11H2,1-3H3.
What are the key properties of 2,5,6-trimethyl-4-[4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]pyridazin-3-one?
2,5,6-trimethyl-4-[4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]pyridazin-3-one has a molecular weight of 396.52 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6-trimethyl-4-[4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]pyridazin-3-one is sourced from PubChem (CID 120754893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).