7-methyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-4-one

C15H20N4O2S — CID 53161595

IUPAC7-methyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-4-one
SMILESCc1nn(CC(=O)N2CCCC2)c(=O)c2nc(C(C)C)sc12
InChIInChI=1S/C15H20N4O2S/c1-9(2)14-16-12-13(22-14)10(3)17-19(15(12)21)8-11(20)18-6-4-5-7-18/h9H,4-8H2,1-3H3
InChIKeyLRSHEWWODCFQIY-UHFFFAOYSA-N
MW320.42 g/mol
LogP1.91
Rot. Bonds3

About 7-methyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-4-one

7-methyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-4-one (PubChem CID 53161595) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is 7-methyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-4-one.

Molecular Properties

Compound Name7-methyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-4-one
PubChem CID53161595
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC Name7-methyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-4-one
SMILESCc1nn(CC(=O)N2CCCC2)c(=O)c2nc(C(C)C)sc12
InChIInChI=1S/C15H20N4O2S/c1-9(2)14-16-12-13(22-14)10(3)17-19(15(12)21)8-11(20)18-6-4-5-7-18/h9H,4-8H2,1-3H3
InChIKeyLRSHEWWODCFQIY-UHFFFAOYSA-N
XLogP1.91
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-4-one?
The IUPAC name of 7-methyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-4-one (CID 53161595) is 7-methyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-4-one.
What is the SMILES notation for 7-methyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-4-one?
The canonical SMILES for 7-methyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-4-one is Cc1nn(CC(=O)N2CCCC2)c(=O)c2nc(C(C)C)sc12.
What is the InChIKey of 7-methyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-4-one?
The InChIKey is LRSHEWWODCFQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-9(2)14-16-12-13(22-14)10(3)17-19(15(12)21)8-11(20)18-6-4-5-7-18/h9H,4-8H2,1-3H3.
What are the key properties of 7-methyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-4-one?
7-methyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-4-one has a molecular weight of 320.42 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-4-one is sourced from PubChem (CID 53161595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).