3-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]pyridine-2-carbothioamide

C11H14N4OS — CID 62894984

IUPAC3-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]pyridine-2-carbothioamide
SMILESCN1CCN(Cc2cccnc2C(N)=S)C1=O
InChIInChI=1S/C11H14N4OS/c1-14-5-6-15(11(14)16)7-8-3-2-4-13-9(8)10(12)17/h2-4H,5-7H2,1H3,(H2,12,17)
InChIKeyOAINXCYPIYOYQI-UHFFFAOYSA-N
MW250.33 g/mol
LogP0.58
Rot. Bonds3

About 3-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]pyridine-2-carbothioamide

3-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]pyridine-2-carbothioamide (PubChem CID 62894984) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is 3-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]pyridine-2-carbothioamide.

Molecular Properties

Compound Name3-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]pyridine-2-carbothioamide
PubChem CID62894984
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC Name3-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]pyridine-2-carbothioamide
SMILESCN1CCN(Cc2cccnc2C(N)=S)C1=O
InChIInChI=1S/C11H14N4OS/c1-14-5-6-15(11(14)16)7-8-3-2-4-13-9(8)10(12)17/h2-4H,5-7H2,1H3,(H2,12,17)
InChIKeyOAINXCYPIYOYQI-UHFFFAOYSA-N
XLogP0.58
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-2-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]benzenecarbothioamide
CID 63293157
1-[(5-aminoquinolin-8-yl)methyl]-3-methylimidazolidin-2-one
CID 62490120
3-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]pyridine-2-carbothioamide
CID 55128079
3-[(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)methyl]pyridine-2-carbothioamide
CID 79886774
3-[(2-cyclopentylpyrrolidin-1-yl)methyl]pyridine-2-carbothioamide
CID 62893453
3-[(2,6-dioxo-3-propylpyrimidin-1-yl)methyl]pyridine-2-carbothioamide
CID 63801009
3-[(2-methyl-3,5-dioxopiperazin-1-yl)methyl]pyridine-2-carbothioamide
CID 66061134
3-[(2-ethylpyrrolidin-1-yl)methyl]pyridine-2-carbothioamide
CID 62894282
3-[(3-methylpiperidin-1-yl)methyl]pyridine-2-carbothioamide
CID 62893261
3-[(3-cyclopropyl-2-oxoimidazol-1-yl)methyl]pyridine-2-carbothioamide
CID 80581187
3-[(3-methoxypyrrolidin-1-yl)methyl]pyridine-2-carbothioamide
CID 103533736
3-[(2-ethyl-3,5-dioxopiperazin-1-yl)methyl]pyridine-2-carbothioamide
CID 66067734

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]pyridine-2-carbothioamide?
The IUPAC name of 3-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]pyridine-2-carbothioamide (CID 62894984) is 3-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]pyridine-2-carbothioamide.
What is the SMILES notation for 3-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]pyridine-2-carbothioamide?
The canonical SMILES for 3-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]pyridine-2-carbothioamide is CN1CCN(Cc2cccnc2C(N)=S)C1=O.
What is the InChIKey of 3-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]pyridine-2-carbothioamide?
The InChIKey is OAINXCYPIYOYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS/c1-14-5-6-15(11(14)16)7-8-3-2-4-13-9(8)10(12)17/h2-4H,5-7H2,1H3,(H2,12,17).
What are the key properties of 3-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]pyridine-2-carbothioamide?
3-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]pyridine-2-carbothioamide has a molecular weight of 250.33 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]pyridine-2-carbothioamide is sourced from PubChem (CID 62894984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).