2-[2-(dimethylamino)ethoxy]pyridine-4-carbothioamide

C10H15N3OS — CID 61102474

IUPAC2-[2-(dimethylamino)ethoxy]pyridine-4-carbothioamide
SMILESCN(C)CCOc1cc(C(N)=S)ccn1
InChIInChI=1S/C10H15N3OS/c1-13(2)5-6-14-9-7-8(10(11)15)3-4-12-9/h3-4,7H,5-6H2,1-2H3,(H2,11,15)
InChIKeySTNAOSIJTDVXEO-UHFFFAOYSA-N
MW225.32 g/mol
LogP0.66
Rot. Bonds5

About 2-[2-(dimethylamino)ethoxy]pyridine-4-carbothioamide

2-[2-(dimethylamino)ethoxy]pyridine-4-carbothioamide (PubChem CID 61102474) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethoxy]pyridine-4-carbothioamide.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethoxy]pyridine-4-carbothioamide
PubChem CID61102474
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name2-[2-(dimethylamino)ethoxy]pyridine-4-carbothioamide
SMILESCN(C)CCOc1cc(C(N)=S)ccn1
InChIInChI=1S/C10H15N3OS/c1-13(2)5-6-14-9-7-8(10(11)15)3-4-12-9/h3-4,7H,5-6H2,1-2H3,(H2,11,15)
InChIKeySTNAOSIJTDVXEO-UHFFFAOYSA-N
XLogP0.66
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(dimethylamino)ethyl-methylamino]pyridine-4-carbothioamide
CID 63695419
3-[2-(dimethylamino)ethoxy]-4-methoxybenzenecarbothioamide
CID 22685297
2-(2,2,2-trifluoroethoxy)pyridine-4-carbothioamide
CID 24697236
2-(2-cyclobutylethoxy)pyridine-4-carbothioamide
CID 106201698
4-[2-(dimethylamino)ethoxy]-3-fluorobenzenecarbothioamide
CID 61102663
2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyridine-4-carbothioamide
CID 24692502
2-[2-[2-(dimethylamino)ethoxy]ethoxy]pyridin-4-amine
CID 71200725
2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]pyridine-4-carbothioamide
CID 55009052
2-pentan-2-yloxypyridine-4-carbothioamide
CID 102981810
2-(cyclohexylmethoxy)pyridine-4-carbothioamide
CID 62384097
N-(1-cyanocyclobutyl)-2-[2-(dimethylamino)ethoxy]-N-methylpyridine-4-carboxamide
CID 84592772
2-(2,3,6-trimethylphenoxy)pyridine-4-carbothioamide
CID 43345578

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethoxy]pyridine-4-carbothioamide?
The IUPAC name of 2-[2-(dimethylamino)ethoxy]pyridine-4-carbothioamide (CID 61102474) is 2-[2-(dimethylamino)ethoxy]pyridine-4-carbothioamide.
What is the SMILES notation for 2-[2-(dimethylamino)ethoxy]pyridine-4-carbothioamide?
The canonical SMILES for 2-[2-(dimethylamino)ethoxy]pyridine-4-carbothioamide is CN(C)CCOc1cc(C(N)=S)ccn1.
What is the InChIKey of 2-[2-(dimethylamino)ethoxy]pyridine-4-carbothioamide?
The InChIKey is STNAOSIJTDVXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-13(2)5-6-14-9-7-8(10(11)15)3-4-12-9/h3-4,7H,5-6H2,1-2H3,(H2,11,15).
What are the key properties of 2-[2-(dimethylamino)ethoxy]pyridine-4-carbothioamide?
2-[2-(dimethylamino)ethoxy]pyridine-4-carbothioamide has a molecular weight of 225.32 g/mol, XLogP of 0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethoxy]pyridine-4-carbothioamide is sourced from PubChem (CID 61102474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).