5-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-2-ethyl-7-methyl-[1,3]thiazolo[4,5-d]pyridazin-4-one

C20H29N5O2S — CID 71840127

IUPAC5-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-2-ethyl-7-methyl-[1,3]thiazolo[4,5-d]pyridazin-4-one
SMILESCCc1nc2c(=O)n(CC(=O)N3CCN(C4CCCCC4)CC3)nc(C)c2s1
InChIInChI=1S/C20H29N5O2S/c1-3-16-21-18-19(28-16)14(2)22-25(20(18)27)13-17(26)24-11-9-23(10-12-24)15-7-5-4-6-8-15/h15H,3-13H2,1-2H3
InChIKeyRGTZCDARHWYIPU-UHFFFAOYSA-N
MW403.55 g/mol
LogP2.20
Rot. Bonds4

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

5-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-2-ethyl-7-methyl-[1,3]thiazolo[4,5-d]pyridazin-4-one (PubChem CID 71840127) has the molecular formula C20H29N5O2S and a molecular weight of 403.55 g/mol. Its IUPAC name is 5-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-2-ethyl-7-methyl-[1,3]thiazolo[4,5-d]pyridazin-4-one.

Molecular Properties

Compound Name5-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-2-ethyl-7-methyl-[1,3]thiazolo[4,5-d]pyridazin-4-one
PubChem CID71840127
Molecular FormulaC20H29N5O2S
Molecular Weight403.55 g/mol
Exact Mass403.20
IUPAC Name5-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-2-ethyl-7-methyl-[1,3]thiazolo[4,5-d]pyridazin-4-one
SMILESCCc1nc2c(=O)n(CC(=O)N3CCN(C4CCCCC4)CC3)nc(C)c2s1
InChIInChI=1S/C20H29N5O2S/c1-3-16-21-18-19(28-16)14(2)22-25(20(18)27)13-17(26)24-11-9-23(10-12-24)15-7-5-4-6-8-15/h15H,3-13H2,1-2H3
InChIKeyRGTZCDARHWYIPU-UHFFFAOYSA-N
XLogP2.20
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.55
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-2-ethyl-7-methyl-[1,3]thiazolo[4,5-d]pyridazin-4-one?
The IUPAC name of 5-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-2-ethyl-7-methyl-[1,3]thiazolo[4,5-d]pyridazin-4-one (CID 71840127) is 5-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-2-ethyl-7-methyl-[1,3]thiazolo[4,5-d]pyridazin-4-one.
What is the SMILES notation for 5-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-2-ethyl-7-methyl-[1,3]thiazolo[4,5-d]pyridazin-4-one?
The canonical SMILES for 5-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-2-ethyl-7-methyl-[1,3]thiazolo[4,5-d]pyridazin-4-one is CCc1nc2c(=O)n(CC(=O)N3CCN(C4CCCCC4)CC3)nc(C)c2s1.
What is the InChIKey of 5-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-2-ethyl-7-methyl-[1,3]thiazolo[4,5-d]pyridazin-4-one?
The InChIKey is RGTZCDARHWYIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2S/c1-3-16-21-18-19(28-16)14(2)22-25(20(18)27)13-17(26)24-11-9-23(10-12-24)15-7-5-4-6-8-15/h15H,3-13H2,1-2H3.
What are the key properties of 5-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-2-ethyl-7-methyl-[1,3]thiazolo[4,5-d]pyridazin-4-one?
5-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-2-ethyl-7-methyl-[1,3]thiazolo[4,5-d]pyridazin-4-one has a molecular weight of 403.55 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-2-ethyl-7-methyl-[1,3]thiazolo[4,5-d]pyridazin-4-one is sourced from PubChem (CID 71840127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).