2,5,6-trimethyl-4-[4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]pyridazin-3-one;dihydrochloride

C19H27Cl2N7OS — CID 120871062

IUPAC2,5,6-trimethyl-4-[4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]pyridazin-3-one;dihydrochloride
SMILESCc1nn(C)c(=O)c(-c2nc(CN3CCNCC3c3nccn3C)cs2)c1C.Cl.Cl
InChIInChI=1S/C19H25N7OS.2ClH/c1-12-13(2)23-25(4)19(27)16(12)18-22-14(11-28-18)10-26-8-5-20-9-15(26)17-21-6-7-24(17)3;;/h6-7,11,15,20H,5,8-10H2,1-4H3;2*1H
InChIKeySKKMHKCMFDSJFL-UHFFFAOYSA-N
MW472.45 g/mol
LogP2.24
Rot. Bonds4

About 2,5,6-trimethyl-4-[4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]pyridazin-3-one;dihydrochloride

2,5,6-trimethyl-4-[4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]pyridazin-3-one;dihydrochloride (PubChem CID 120871062) has the molecular formula C19H27Cl2N7OS and a molecular weight of 472.45 g/mol. Its IUPAC name is 2,5,6-trimethyl-4-[4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]pyridazin-3-one;dihydrochloride.

Molecular Properties

Compound Name2,5,6-trimethyl-4-[4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]pyridazin-3-one;dihydrochloride
PubChem CID120871062
Molecular FormulaC19H27Cl2N7OS
Molecular Weight472.45 g/mol
Exact Mass471.14
IUPAC Name2,5,6-trimethyl-4-[4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]pyridazin-3-one;dihydrochloride
SMILESCc1nn(C)c(=O)c(-c2nc(CN3CCNCC3c3nccn3C)cs2)c1C.Cl.Cl
InChIInChI=1S/C19H25N7OS.2ClH/c1-12-13(2)23-25(4)19(27)16(12)18-22-14(11-28-18)10-26-8-5-20-9-15(26)17-21-6-7-24(17)3;;/h6-7,11,15,20H,5,8-10H2,1-4H3;2*1H
InChIKeySKKMHKCMFDSJFL-UHFFFAOYSA-N
XLogP2.24
TPSA80.87 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.45
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole
CID 120871073
2,5,6-trimethyl-4-[4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]pyridazin-3-one
CID 120754893
2-(2,3-dimethoxyphenyl)-4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazole
CID 120870607
2-[(4-fluorophenoxy)methyl]-4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazole
CID 120870745
1-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120912485
3-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole
CID 120870038
4-ethyl-2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1H-pyrimidin-6-one;hydrochloride
CID 137096156
2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazole
CID 120911940
4-[4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-2,5,6-trimethylpyridazin-3-one
CID 111825512
3-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5-phenyl-1,2-oxazole;hydrochloride
CID 120967347
9-methyl-2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 120870027
2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 120869739

Frequently Asked Questions

What is the IUPAC name of 2,5,6-trimethyl-4-[4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]pyridazin-3-one;dihydrochloride?
The IUPAC name of 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) is 2,5,6-trimethyl-4-[4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]pyridazin-3-one;dihydrochloride.
What is the SMILES notation for 2,5,6-trimethyl-4-[4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]pyridazin-3-one;dihydrochloride?
The canonical SMILES for 2,5,6-trimethyl-4-[4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]pyridazin-3-one;dihydrochloride is Cc1nn(C)c(=O)c(-c2nc(CN3CCNCC3c3nccn3C)cs2)c1C.Cl.Cl.
What is the InChIKey of 2,5,6-trimethyl-4-[4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]pyridazin-3-one;dihydrochloride?
The InChIKey is SKKMHKCMFDSJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7OS.2ClH/c1-12-13(2)23-25(4)19(27)16(12)18-22-14(11-28-18)10-26-8-5-20-9-15(26)17-21-6-7-24(17)3;;/h6-7,11,15,20H,5,8-10H2,1-4H3;2*1H.
What are the key properties of 2,5,6-trimethyl-4-[4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]pyridazin-3-one;dihydrochloride?
2,5,6-trimethyl-4-[4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]pyridazin-3-one;dihydrochloride has a molecular weight of 472.45 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6-trimethyl-4-[4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]pyridazin-3-one;dihydrochloride is sourced from PubChem (CID 120871062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).