7-methyl-5-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-2-phenyl-[1,3]thiazolo[4,5-d]pyridazin-4-one

C21H25N5O2S — CID 71840023

IUPAC7-methyl-5-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-2-phenyl-[1,3]thiazolo[4,5-d]pyridazin-4-one
SMILESCCCN1CCN(C(=O)Cn2nc(C)c3sc(-c4ccccc4)nc3c2=O)CC1
InChIInChI=1S/C21H25N5O2S/c1-3-9-24-10-12-25(13-11-24)17(27)14-26-21(28)18-19(15(2)23-26)29-20(22-18)16-7-5-4-6-8-16/h4-8H,3,9-14H2,1-2H3
InChIKeyHSHOKGPDVMEPRE-UHFFFAOYSA-N
MW411.53 g/mol
LogP2.38
Rot. Bonds5

About 7-methyl-5-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-2-phenyl-[1,3]thiazolo[4,5-d]pyridazin-4-one

7-methyl-5-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-2-phenyl-[1,3]thiazolo[4,5-d]pyridazin-4-one (PubChem CID 71840023) has the molecular formula C21H25N5O2S and a molecular weight of 411.53 g/mol. Its IUPAC name is 7-methyl-5-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-2-phenyl-[1,3]thiazolo[4,5-d]pyridazin-4-one.

Molecular Properties

Compound Name7-methyl-5-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-2-phenyl-[1,3]thiazolo[4,5-d]pyridazin-4-one
PubChem CID71840023
Molecular FormulaC21H25N5O2S
Molecular Weight411.53 g/mol
Exact Mass411.17
IUPAC Name7-methyl-5-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-2-phenyl-[1,3]thiazolo[4,5-d]pyridazin-4-one
SMILESCCCN1CCN(C(=O)Cn2nc(C)c3sc(-c4ccccc4)nc3c2=O)CC1
InChIInChI=1S/C21H25N5O2S/c1-3-9-24-10-12-25(13-11-24)17(27)14-26-21(28)18-19(15(2)23-26)29-20(22-18)16-7-5-4-6-8-16/h4-8H,3,9-14H2,1-2H3
InChIKeyHSHOKGPDVMEPRE-UHFFFAOYSA-N
XLogP2.38
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7-methyl-5-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-2-phenyl-[1,3]thiazolo[4,5-d]pyridazin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-fluorophenyl)methyl]-2-(7-methyl-4-oxo-2-phenyl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide
CID 71840042
N-(3-methoxypropyl)-2-(7-methyl-4-oxo-2-phenyl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide
CID 71840046
2-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-4-(pyridin-3-ylmethyl)phthalazin-1-one
CID 20875926
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
2-[4-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 46637225
2-ethyl-7-methyl-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-[1,3]thiazolo[4,5-d]pyridazin-4-one
CID 71840117
2-[4-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 30469221
5-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-2-ethyl-7-methyl-[1,3]thiazolo[4,5-d]pyridazin-4-one
CID 71840164
2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(4-propylpiperazin-1-yl)ethanone
CID 43445180
4-benzyl-2-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-5-methyl-1,2,4-triazol-3-one
CID 70718408
2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1-piperidin-1-ylethanone
CID 110328829
3,4-dimethyl-6-(2-morpholin-4-yl-2-oxoethyl)-2-phenylpyrazolo[3,4-d]pyridazin-7-one
CID 20919653

Frequently Asked Questions

What is the IUPAC name of 7-methyl-5-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-2-phenyl-[1,3]thiazolo[4,5-d]pyridazin-4-one?
The IUPAC name of 7-methyl-5-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-2-phenyl-[1,3]thiazolo[4,5-d]pyridazin-4-one (CID 71840023) is 7-methyl-5-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-2-phenyl-[1,3]thiazolo[4,5-d]pyridazin-4-one.
What is the SMILES notation for 7-methyl-5-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-2-phenyl-[1,3]thiazolo[4,5-d]pyridazin-4-one?
The canonical SMILES for 7-methyl-5-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-2-phenyl-[1,3]thiazolo[4,5-d]pyridazin-4-one is CCCN1CCN(C(=O)Cn2nc(C)c3sc(-c4ccccc4)nc3c2=O)CC1.
What is the InChIKey of 7-methyl-5-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-2-phenyl-[1,3]thiazolo[4,5-d]pyridazin-4-one?
The InChIKey is HSHOKGPDVMEPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2S/c1-3-9-24-10-12-25(13-11-24)17(27)14-26-21(28)18-19(15(2)23-26)29-20(22-18)16-7-5-4-6-8-16/h4-8H,3,9-14H2,1-2H3.
What are the key properties of 7-methyl-5-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-2-phenyl-[1,3]thiazolo[4,5-d]pyridazin-4-one?
7-methyl-5-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-2-phenyl-[1,3]thiazolo[4,5-d]pyridazin-4-one has a molecular weight of 411.53 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-2-phenyl-[1,3]thiazolo[4,5-d]pyridazin-4-one is sourced from PubChem (CID 71840023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).