4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]pyridine-2-carbothioamide

C15H18N4S — CID 63883435

IUPAC4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]pyridine-2-carbothioamide
SMILESCN(CCc1ccccn1)Cc1ccnc(C(N)=S)c1
InChIInChI=1S/C15H18N4S/c1-19(9-6-13-4-2-3-7-17-13)11-12-5-8-18-14(10-12)15(16)20/h2-5,7-8,10H,6,9,11H2,1H3,(H2,16,20)
InChIKeyFQJUKRMAGPLSAH-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.79
Rot. Bonds6

About 4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]pyridine-2-carbothioamide

4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]pyridine-2-carbothioamide (PubChem CID 63883435) has the molecular formula C15H18N4S and a molecular weight of 286.40 g/mol. Its IUPAC name is 4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]pyridine-2-carbothioamide.

Molecular Properties

Compound Name4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]pyridine-2-carbothioamide
PubChem CID63883435
Molecular FormulaC15H18N4S
Molecular Weight286.40 g/mol
Exact Mass286.13
IUPAC Name4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]pyridine-2-carbothioamide
SMILESCN(CCc1ccccn1)Cc1ccnc(C(N)=S)c1
InChIInChI=1S/C15H18N4S/c1-19(9-6-13-4-2-3-7-17-13)11-12-5-8-18-14(10-12)15(16)20/h2-5,7-8,10H,6,9,11H2,1H3,(H2,16,20)
InChIKeyFQJUKRMAGPLSAH-UHFFFAOYSA-N
XLogP1.79
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]pyridine-2-carbothioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[benzyl(methyl)amino]methyl]pyridine-2-carbothioamide
CID 63882465
4-[[methyl(propyl)amino]methyl]pyridine-2-carbothioamide
CID 63883438
4-fluoro-2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]benzenecarbothioamide
CID 64765776
4-[(dimethylamino)methyl]pyridine-2-carbothioamide
CID 63882857
4-[[(4-fluorophenyl)methyl-methylamino]methyl]pyridine-2-carbothioamide
CID 63881697
N-benzyl-N-methyl-2-pyridin-2-ylethanamine;oxalic acid
CID 17384893
4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]pyridine-2-carbothioamide
CID 63882888
4-[[methyl(propan-2-yl)amino]methyl]pyridine-2-carbothioamide
CID 63881095
N-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine;oxalic acid
CID 2845946
N-methyl-2-pyridin-2-yl-N-(pyridin-3-ylmethyl)ethanamine
CID 2055754
N-methyl-2-pyridin-2-yl-N-[(4-trimethylsilylphenyl)methyl]ethanamine
CID 103438267
4-[(4-fluoro-N-methylanilino)methyl]pyridine-2-carbothioamide
CID 63883459

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]pyridine-2-carbothioamide?
The IUPAC name of 4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]pyridine-2-carbothioamide (CID 63883435) is 4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]pyridine-2-carbothioamide.
What is the SMILES notation for 4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]pyridine-2-carbothioamide?
The canonical SMILES for 4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]pyridine-2-carbothioamide is CN(CCc1ccccn1)Cc1ccnc(C(N)=S)c1.
What is the InChIKey of 4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]pyridine-2-carbothioamide?
The InChIKey is FQJUKRMAGPLSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4S/c1-19(9-6-13-4-2-3-7-17-13)11-12-5-8-18-14(10-12)15(16)20/h2-5,7-8,10H,6,9,11H2,1H3,(H2,16,20).
What are the key properties of 4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]pyridine-2-carbothioamide?
4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]pyridine-2-carbothioamide has a molecular weight of 286.40 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]pyridine-2-carbothioamide is sourced from PubChem (CID 63883435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).