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

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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).