2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)ethanethioamide

C10H14N4OS — CID 114395765

IUPAC2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)ethanethioamide
SMILESNC(=S)Cn1ncc(N2CCCC2)cc1=O
InChIInChI=1S/C10H14N4OS/c11-9(16)7-14-10(15)5-8(6-12-14)13-3-1-2-4-13/h5-6H,1-4,7H2,(H2,11,16)
InChIKeySJFUJWPEVSVURH-UHFFFAOYSA-N
MW238.32 g/mol
LogP0.13
Rot. Bonds3

About 2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)ethanethioamide

2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)ethanethioamide (PubChem CID 114395765) has the molecular formula C10H14N4OS and a molecular weight of 238.32 g/mol. Its IUPAC name is 2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)ethanethioamide.

Molecular Properties

Compound Name2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)ethanethioamide
PubChem CID114395765
Molecular FormulaC10H14N4OS
Molecular Weight238.32 g/mol
Exact Mass238.09
IUPAC Name2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)ethanethioamide
SMILESNC(=S)Cn1ncc(N2CCCC2)cc1=O
InChIInChI=1S/C10H14N4OS/c11-9(16)7-14-10(15)5-8(6-12-14)13-3-1-2-4-13/h5-6H,1-4,7H2,(H2,11,16)
InChIKeySJFUJWPEVSVURH-UHFFFAOYSA-N
XLogP0.13
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

3,3,3-Trifluoro-2-[(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)methyl]propanethioamide
CID 103369001
2-(3-Amino-1,1,1-trifluoropropan-2-yl)-5-pyrrolidin-1-ylpyridazin-3-one
CID 114393459
5-[(3R)-3-aminopyrrolidin-1-yl]-2-methylpyridazin-3-one
CID 129514099
5-Amino-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one
CID 103218227
5-Amino-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one
CID 103218320
5-(2-Aminoethylamino)-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one
CID 103221032
5-(2-Aminoethylamino)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one
CID 103221171
5-[2-Aminoethyl(methyl)amino]-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one
CID 103223360
5-[2-Aminoethyl(methyl)amino]-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one
CID 103223438
5-[2-(Methylamino)ethylamino]-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one
CID 103223576
2-[(2S)-2-aminopropyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 104920905
2-[(2R)-2-aminopropyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 104920906

Frequently Asked Questions

What is the IUPAC name of 2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)ethanethioamide?
The IUPAC name of 2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)ethanethioamide (CID 114395765) is 2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)ethanethioamide.
What is the SMILES notation for 2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)ethanethioamide?
The canonical SMILES for 2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)ethanethioamide is NC(=S)Cn1ncc(N2CCCC2)cc1=O.
What is the InChIKey of 2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)ethanethioamide?
The InChIKey is SJFUJWPEVSVURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4OS/c11-9(16)7-14-10(15)5-8(6-12-14)13-3-1-2-4-13/h5-6H,1-4,7H2,(H2,11,16).
What are the key properties of 2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)ethanethioamide?
2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)ethanethioamide has a molecular weight of 238.32 g/mol, XLogP of 0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)ethanethioamide is sourced from PubChem (CID 114395765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).