5-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-7-methyl-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-4-one

C21H24FN5O2S — CID 71840086

IUPAC5-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-7-methyl-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-4-one
SMILESCc1nn(CC(=O)N2CCN(c3ccccc3F)CC2)c(=O)c2nc(C(C)C)sc12
InChIInChI=1S/C21H24FN5O2S/c1-13(2)20-23-18-19(30-20)14(3)24-27(21(18)29)12-17(28)26-10-8-25(9-11-26)16-7-5-4-6-15(16)22/h4-7,13H,8-12H2,1-3H3
InChIKeyYGTULNBGNPSYLL-UHFFFAOYSA-N
MW429.52 g/mol
LogP2.77
Rot. Bonds4

About 5-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-7-methyl-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-4-one

5-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-7-methyl-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-4-one (PubChem CID 71840086) has the molecular formula C21H24FN5O2S and a molecular weight of 429.52 g/mol. Its IUPAC name is 5-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-7-methyl-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-4-one.

Molecular Properties

Compound Name5-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-7-methyl-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-4-one
PubChem CID71840086
Molecular FormulaC21H24FN5O2S
Molecular Weight429.52 g/mol
Exact Mass429.16
IUPAC Name5-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-7-methyl-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-4-one
SMILESCc1nn(CC(=O)N2CCN(c3ccccc3F)CC2)c(=O)c2nc(C(C)C)sc12
InChIInChI=1S/C21H24FN5O2S/c1-13(2)20-23-18-19(30-20)14(3)24-27(21(18)29)12-17(28)26-10-8-25(9-11-26)16-7-5-4-6-15(16)22/h4-7,13H,8-12H2,1-3H3
InChIKeyYGTULNBGNPSYLL-UHFFFAOYSA-N
XLogP2.77
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-7-methyl-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-4-one with MolForge

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Related Compounds

2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 35334739
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 40681998
7-methyl-5-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-2-phenyl-[1,3]thiazolo[4,5-d]pyridazin-4-one
CID 71840023
N-cyclopentyl-2-(7-methyl-4-oxo-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide
CID 71840085
2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-(4-methylpiperidin-1-yl)phthalazin-1-one
CID 46396915
3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one
CID 27006126
1-(2-chlorophenyl)-4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]tetrazol-5-one
CID 24578921
2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methylisoquinolin-1-one
CID 5058983
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]ethanone;hydrochloride
CID 45284437
9-chloro-3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-[1]benzothiolo[3,2-d]pyrimidin-4-one
CID 27557470
2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 108995427
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone
CID 1439137

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-7-methyl-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-4-one?
The IUPAC name of 5-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-7-methyl-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-4-one (CID 71840086) is 5-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-7-methyl-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-4-one.
What is the SMILES notation for 5-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-7-methyl-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-4-one?
The canonical SMILES for 5-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-7-methyl-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-4-one is Cc1nn(CC(=O)N2CCN(c3ccccc3F)CC2)c(=O)c2nc(C(C)C)sc12.
What is the InChIKey of 5-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-7-methyl-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-4-one?
The InChIKey is YGTULNBGNPSYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5O2S/c1-13(2)20-23-18-19(30-20)14(3)24-27(21(18)29)12-17(28)26-10-8-25(9-11-26)16-7-5-4-6-15(16)22/h4-7,13H,8-12H2,1-3H3.
What are the key properties of 5-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-7-methyl-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-4-one?
5-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-7-methyl-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-4-one has a molecular weight of 429.52 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-7-methyl-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-4-one is sourced from PubChem (CID 71840086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).