3-[[2-hydroxyethyl(methyl)amino]methyl]pyridine-2-carbothioamide

C10H15N3OS — CID 62894279

IUPAC3-[[2-hydroxyethyl(methyl)amino]methyl]pyridine-2-carbothioamide
SMILESCN(CCO)Cc1cccnc1C(N)=S
InChIInChI=1S/C10H15N3OS/c1-13(5-6-14)7-8-3-2-4-12-9(8)10(11)15/h2-4,14H,5-7H2,1H3,(H2,11,15)
InChIKeyWSEPSIVFWVDNTI-UHFFFAOYSA-N
MW225.32 g/mol
LogP0.14
Rot. Bonds5

About 3-[[2-hydroxyethyl(methyl)amino]methyl]pyridine-2-carbothioamide

3-[[2-hydroxyethyl(methyl)amino]methyl]pyridine-2-carbothioamide (PubChem CID 62894279) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 3-[[2-hydroxyethyl(methyl)amino]methyl]pyridine-2-carbothioamide.

Molecular Properties

Compound Name3-[[2-hydroxyethyl(methyl)amino]methyl]pyridine-2-carbothioamide
PubChem CID62894279
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name3-[[2-hydroxyethyl(methyl)amino]methyl]pyridine-2-carbothioamide
SMILESCN(CCO)Cc1cccnc1C(N)=S
InChIInChI=1S/C10H15N3OS/c1-13(5-6-14)7-8-3-2-4-12-9(8)10(11)15/h2-4,14H,5-7H2,1H3,(H2,11,15)
InChIKeyWSEPSIVFWVDNTI-UHFFFAOYSA-N
XLogP0.14
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-hydroxyethyl(methyl)amino]methyl]pyridine-2-carboximidamide
CID 62894381
3-[[methyl(thiophen-3-ylmethyl)amino]methyl]pyridine-2-carbothioamide
CID 62893438
3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]pyridine-2-carbothioamide
CID 55150343
3-[[cyclohexyl(2-hydroxyethyl)amino]methyl]pyridine-2-carbothioamide
CID 62893452
3-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]pyridine-2-carbothioamide
CID 63837965
3-[[bis(2-methoxyethyl)amino]methyl]pyridine-2-carbothioamide
CID 55128366
3-[(N,3,5-trimethylanilino)methyl]pyridine-2-carbothioamide
CID 62893957
3-[[butyl(ethyl)amino]methyl]pyridine-2-carbothioamide
CID 55128126
3-[[2-(dimethylamino)ethyl-methylamino]methyl]pyridine-2-carboximidamide
CID 63694039
3-[[(4-ethylcyclohexyl)-methylamino]methyl]pyridine-2-carbothioamide
CID 62894960
3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyridine-2-carbothioamide
CID 62894793
3-[3-hydroxypropyl(methyl)sulfamoyl]pyridine-2-carbothioamide
CID 114230219

Frequently Asked Questions

What is the IUPAC name of 3-[[2-hydroxyethyl(methyl)amino]methyl]pyridine-2-carbothioamide?
The IUPAC name of 3-[[2-hydroxyethyl(methyl)amino]methyl]pyridine-2-carbothioamide (CID 62894279) is 3-[[2-hydroxyethyl(methyl)amino]methyl]pyridine-2-carbothioamide.
What is the SMILES notation for 3-[[2-hydroxyethyl(methyl)amino]methyl]pyridine-2-carbothioamide?
The canonical SMILES for 3-[[2-hydroxyethyl(methyl)amino]methyl]pyridine-2-carbothioamide is CN(CCO)Cc1cccnc1C(N)=S.
What is the InChIKey of 3-[[2-hydroxyethyl(methyl)amino]methyl]pyridine-2-carbothioamide?
The InChIKey is WSEPSIVFWVDNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-13(5-6-14)7-8-3-2-4-12-9(8)10(11)15/h2-4,14H,5-7H2,1H3,(H2,11,15).
What are the key properties of 3-[[2-hydroxyethyl(methyl)amino]methyl]pyridine-2-carbothioamide?
3-[[2-hydroxyethyl(methyl)amino]methyl]pyridine-2-carbothioamide has a molecular weight of 225.32 g/mol, XLogP of 0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-hydroxyethyl(methyl)amino]methyl]pyridine-2-carbothioamide is sourced from PubChem (CID 62894279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).