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

C14H24N4S — CID 55009052

IUPAC2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]pyridine-4-carbothioamide
SMILESCC(C)CN(CCN(C)C)c1cc(C(N)=S)ccn1
InChIInChI=1S/C14H24N4S/c1-11(2)10-18(8-7-17(3)4)13-9-12(14(15)19)5-6-16-13/h5-6,9,11H,7-8,10H2,1-4H3,(H2,15,19)
InChIKeyDCZULSPZWQEEIW-UHFFFAOYSA-N
MW280.44 g/mol
LogP1.74
Rot. Bonds7

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

2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]pyridine-4-carbothioamide (PubChem CID 55009052) has the molecular formula C14H24N4S and a molecular weight of 280.44 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]pyridine-4-carbothioamide.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]pyridine-4-carbothioamide
PubChem CID55009052
Molecular FormulaC14H24N4S
Molecular Weight280.44 g/mol
Exact Mass280.17
IUPAC Name2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]pyridine-4-carbothioamide
SMILESCC(C)CN(CCN(C)C)c1cc(C(N)=S)ccn1
InChIInChI=1S/C14H24N4S/c1-11(2)10-18(8-7-17(3)4)13-9-12(14(15)19)5-6-16-13/h5-6,9,11H,7-8,10H2,1-4H3,(H2,15,19)
InChIKeyDCZULSPZWQEEIW-UHFFFAOYSA-N
XLogP1.74
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
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

2-[(4-carbamothioyl-2-pyridinyl)-(2-methylpropyl)amino]acetamide
CID 55003708
2-[2-(dimethylamino)ethyl-methylamino]pyridine-4-carbothioamide
CID 63695419
N'-[4-(aminomethyl)-2-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 55006973
4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]pyridine-2-carbothioamide
CID 62925226
2-[ethyl(2-hydroxyethyl)amino]pyridine-4-carbothioamide
CID 60981724
2-[methyl(pentan-2-yl)amino]pyridine-4-carbothioamide
CID 43572453
4-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]pyridine-2-carbothioamide
CID 63882102
2-[2-methoxyethyl(3-methoxypropyl)amino]pyridine-4-carbothioamide
CID 54990055
2-[2-(dimethylamino)ethoxy]pyridine-4-carbothioamide
CID 61102474
methyl 2-[(4-carbamothioyl-2-pyridinyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 62956262
2-[1-(dimethylamino)propan-2-ylamino]pyridine-4-carbothioamide
CID 82939380
N'-(2-hydrazinylpyrimidin-4-yl)-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 80900495

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]pyridine-4-carbothioamide?
The IUPAC name of 2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]pyridine-4-carbothioamide (CID 55009052) is 2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]pyridine-4-carbothioamide.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]pyridine-4-carbothioamide?
The canonical SMILES for 2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]pyridine-4-carbothioamide is CC(C)CN(CCN(C)C)c1cc(C(N)=S)ccn1.
What is the InChIKey of 2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]pyridine-4-carbothioamide?
The InChIKey is DCZULSPZWQEEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4S/c1-11(2)10-18(8-7-17(3)4)13-9-12(14(15)19)5-6-16-13/h5-6,9,11H,7-8,10H2,1-4H3,(H2,15,19).
What are the key properties of 2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]pyridine-4-carbothioamide?
2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]pyridine-4-carbothioamide has a molecular weight of 280.44 g/mol, XLogP of 1.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]pyridine-4-carbothioamide is sourced from PubChem (CID 55009052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).