4,5-dichloro-2-[[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methyl]pyridazin-3-one

C20H21Cl2N5O2S — CID 24623502

IUPAC4,5-dichloro-2-[[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methyl]pyridazin-3-one
SMILESCOc1ccc(-c2nc(CN3CCN(Cn4ncc(Cl)c(Cl)c4=O)CC3)cs2)cc1
InChIInChI=1S/C20H21Cl2N5O2S/c1-29-16-4-2-14(3-5-16)19-24-15(12-30-19)11-25-6-8-26(9-7-25)13-27-20(28)18(22)17(21)10-23-27/h2-5,10,12H,6-9,11,13H2,1H3
InChIKeyHPPFXRBLBGAZCF-UHFFFAOYSA-N
MW466.39 g/mol
LogP3.46
Rot. Bonds6

About 4,5-dichloro-2-[[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methyl]pyridazin-3-one

4,5-dichloro-2-[[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methyl]pyridazin-3-one (PubChem CID 24623502) has the molecular formula C20H21Cl2N5O2S and a molecular weight of 466.39 g/mol. Its IUPAC name is 4,5-dichloro-2-[[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-[[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methyl]pyridazin-3-one
PubChem CID24623502
Molecular FormulaC20H21Cl2N5O2S
Molecular Weight466.39 g/mol
Exact Mass465.08
IUPAC Name4,5-dichloro-2-[[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methyl]pyridazin-3-one
SMILESCOc1ccc(-c2nc(CN3CCN(Cn4ncc(Cl)c(Cl)c4=O)CC3)cs2)cc1
InChIInChI=1S/C20H21Cl2N5O2S/c1-29-16-4-2-14(3-5-16)19-24-15(12-30-19)11-25-6-8-26(9-7-25)13-27-20(28)18(22)17(21)10-23-27/h2-5,10,12H,6-9,11,13H2,1H3
InChIKeyHPPFXRBLBGAZCF-UHFFFAOYSA-N
XLogP3.46
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.39
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4,5-dichloro-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]pyridazin-3-one
CID 16560641
1-[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethanone
CID 26552668
2-[[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 24623494
2-(4-methoxyphenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole
CID 39721537
2-(4-methoxyphenyl)-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole
CID 26575815
4-[[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-2-(4-methoxyphenyl)-1,3-thiazole
CID 26574708
3-[[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 24623488
4-[[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-2-(4-methoxyphenyl)-1,3-thiazole
CID 31112463
4-chloro-6-[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]pyrimidin-2-amine
CID 55570137
4,5-dichloro-2-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]pyridazin-3-one
CID 51111624
4,5-dichloro-2-[[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]methyl]pyridazin-3-one
CID 18142402
4-[(4-cyclohexyloxypiperidin-1-yl)methyl]-2-(4-methoxyphenyl)-1,3-thiazole
CID 86873877

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-[[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methyl]pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-[[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methyl]pyridazin-3-one (CID 24623502) is 4,5-dichloro-2-[[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-[[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methyl]pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-[[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methyl]pyridazin-3-one is COc1ccc(-c2nc(CN3CCN(Cn4ncc(Cl)c(Cl)c4=O)CC3)cs2)cc1.
What is the InChIKey of 4,5-dichloro-2-[[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methyl]pyridazin-3-one?
The InChIKey is HPPFXRBLBGAZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2N5O2S/c1-29-16-4-2-14(3-5-16)19-24-15(12-30-19)11-25-6-8-26(9-7-25)13-27-20(28)18(22)17(21)10-23-27/h2-5,10,12H,6-9,11,13H2,1H3.
What are the key properties of 4,5-dichloro-2-[[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methyl]pyridazin-3-one?
4,5-dichloro-2-[[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methyl]pyridazin-3-one has a molecular weight of 466.39 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-[[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 24623502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).