2-[2-(2-methyl-1,3-thiazolidin-3-yl)-2-oxoethyl]pyridazin-3-one

C10H13N3O2S — CID 122331787

IUPAC2-[2-(2-methyl-1,3-thiazolidin-3-yl)-2-oxoethyl]pyridazin-3-one
SMILESCC1SCCN1C(=O)Cn1ncccc1=O
InChIInChI=1S/C10H13N3O2S/c1-8-12(5-6-16-8)10(15)7-13-9(14)3-2-4-11-13/h2-4,8H,5-7H2,1H3
InChIKeyPSZOJROLGXIANY-UHFFFAOYSA-N
MW239.30 g/mol
LogP0.16
Rot. Bonds2

About 2-[2-(2-methyl-1,3-thiazolidin-3-yl)-2-oxoethyl]pyridazin-3-one

2-[2-(2-methyl-1,3-thiazolidin-3-yl)-2-oxoethyl]pyridazin-3-one (PubChem CID 122331787) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is 2-[2-(2-methyl-1,3-thiazolidin-3-yl)-2-oxoethyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-(2-methyl-1,3-thiazolidin-3-yl)-2-oxoethyl]pyridazin-3-one
PubChem CID122331787
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC Name2-[2-(2-methyl-1,3-thiazolidin-3-yl)-2-oxoethyl]pyridazin-3-one
SMILESCC1SCCN1C(=O)Cn1ncccc1=O
InChIInChI=1S/C10H13N3O2S/c1-8-12(5-6-16-8)10(15)7-13-9(14)3-2-4-11-13/h2-4,8H,5-7H2,1H3
InChIKeyPSZOJROLGXIANY-UHFFFAOYSA-N
XLogP0.16
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methyl-1,3-thiazolidin-3-yl)-2-oxoethyl]pyridazin-3-one?
The IUPAC name of 2-[2-(2-methyl-1,3-thiazolidin-3-yl)-2-oxoethyl]pyridazin-3-one (CID 122331787) is 2-[2-(2-methyl-1,3-thiazolidin-3-yl)-2-oxoethyl]pyridazin-3-one.
What is the SMILES notation for 2-[2-(2-methyl-1,3-thiazolidin-3-yl)-2-oxoethyl]pyridazin-3-one?
The canonical SMILES for 2-[2-(2-methyl-1,3-thiazolidin-3-yl)-2-oxoethyl]pyridazin-3-one is CC1SCCN1C(=O)Cn1ncccc1=O.
What is the InChIKey of 2-[2-(2-methyl-1,3-thiazolidin-3-yl)-2-oxoethyl]pyridazin-3-one?
The InChIKey is PSZOJROLGXIANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S/c1-8-12(5-6-16-8)10(15)7-13-9(14)3-2-4-11-13/h2-4,8H,5-7H2,1H3.
What are the key properties of 2-[2-(2-methyl-1,3-thiazolidin-3-yl)-2-oxoethyl]pyridazin-3-one?
2-[2-(2-methyl-1,3-thiazolidin-3-yl)-2-oxoethyl]pyridazin-3-one has a molecular weight of 239.30 g/mol, XLogP of 0.16, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methyl-1,3-thiazolidin-3-yl)-2-oxoethyl]pyridazin-3-one is sourced from PubChem (CID 122331787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).