4-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]pyridine-2-carbothioamide

C15H26N4S — CID 63882102

IUPAC4-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]pyridine-2-carbothioamide
SMILESCC(C)CN(CCN(C)C)Cc1ccnc(C(N)=S)c1
InChIInChI=1S/C15H26N4S/c1-12(2)10-19(8-7-18(3)4)11-13-5-6-17-14(9-13)15(16)20/h5-6,9,12H,7-8,10-11H2,1-4H3,(H2,16,20)
InChIKeyFXSUUDILGNMAHU-UHFFFAOYSA-N
MW294.47 g/mol
LogP1.74
Rot. Bonds8

About 4-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]pyridine-2-carbothioamide

4-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]pyridine-2-carbothioamide (PubChem CID 63882102) has the molecular formula C15H26N4S and a molecular weight of 294.47 g/mol. Its IUPAC name is 4-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]pyridine-2-carbothioamide.

Molecular Properties

Compound Name4-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]pyridine-2-carbothioamide
PubChem CID63882102
Molecular FormulaC15H26N4S
Molecular Weight294.47 g/mol
Exact Mass294.19
IUPAC Name4-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]pyridine-2-carbothioamide
SMILESCC(C)CN(CCN(C)C)Cc1ccnc(C(N)=S)c1
InChIInChI=1S/C15H26N4S/c1-12(2)10-19(8-7-18(3)4)11-13-5-6-17-14(9-13)15(16)20/h5-6,9,12H,7-8,10-11H2,1-4H3,(H2,16,20)
InChIKeyFXSUUDILGNMAHU-UHFFFAOYSA-N
XLogP1.74
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.47
LogP ≤ 51.74
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

4-[(dimethylamino)methyl]pyridine-2-carbothioamide
CID 63882857
4-[[methyl(propan-2-yl)amino]methyl]pyridine-2-carbothioamide
CID 63881095
4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]pyridine-2-carbothioamide
CID 62925226
N'-[(2-chloro-4-pyridinyl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62472378
4-[[methyl(propyl)amino]methyl]pyridine-2-carbothioamide
CID 63883438
4-[[butyl(ethyl)amino]methyl]pyridine-2-carbothioamide
CID 63880501
4-[[benzyl(methyl)amino]methyl]pyridine-2-carbothioamide
CID 63882465
4-[[(4-fluorophenyl)methyl-methylamino]methyl]pyridine-2-carbothioamide
CID 63881697
4-[(N,4-dimethylanilino)methyl]pyridine-2-carbothioamide
CID 63881318
4-[(4-fluoro-N-methylanilino)methyl]pyridine-2-carbothioamide
CID 63883459
2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]pyridine-4-carbothioamide
CID 55009052
4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]pyridine-2-carbothioamide
CID 63883435

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]pyridine-2-carbothioamide?
The IUPAC name of 4-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]pyridine-2-carbothioamide (CID 63882102) is 4-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]pyridine-2-carbothioamide.
What is the SMILES notation for 4-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]pyridine-2-carbothioamide?
The canonical SMILES for 4-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]pyridine-2-carbothioamide is CC(C)CN(CCN(C)C)Cc1ccnc(C(N)=S)c1.
What is the InChIKey of 4-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]pyridine-2-carbothioamide?
The InChIKey is FXSUUDILGNMAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4S/c1-12(2)10-19(8-7-18(3)4)11-13-5-6-17-14(9-13)15(16)20/h5-6,9,12H,7-8,10-11H2,1-4H3,(H2,16,20).
What are the key properties of 4-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]pyridine-2-carbothioamide?
4-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]pyridine-2-carbothioamide has a molecular weight of 294.47 g/mol, XLogP of 1.74, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]pyridine-2-carbothioamide is sourced from PubChem (CID 63882102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).