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

C14H24N4S — CID 62925226

IUPAC4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]pyridine-2-carbothioamide
SMILESCC(C)CN(CCN(C)C)c1ccnc(C(N)=S)c1
InChIInChI=1S/C14H24N4S/c1-11(2)10-18(8-7-17(3)4)12-5-6-16-13(9-12)14(15)19/h5-6,9,11H,7-8,10H2,1-4H3,(H2,15,19)
InChIKeyPRLIKDBPJRVLEL-UHFFFAOYSA-N
MW280.44 g/mol
LogP1.74
Rot. Bonds7

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

4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]pyridine-2-carbothioamide (PubChem CID 62925226) has the molecular formula C14H24N4S and a molecular weight of 280.44 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]pyridine-2-carbothioamide.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]pyridine-2-carbothioamide
PubChem CID62925226
Molecular FormulaC14H24N4S
Molecular Weight280.44 g/mol
Exact Mass280.17
IUPAC Name4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]pyridine-2-carbothioamide
SMILESCC(C)CN(CCN(C)C)c1ccnc(C(N)=S)c1
InChIInChI=1S/C14H24N4S/c1-11(2)10-18(8-7-17(3)4)12-5-6-16-13(9-12)14(15)19/h5-6,9,11H,7-8,10H2,1-4H3,(H2,15,19)
InChIKeyPRLIKDBPJRVLEL-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

4-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]pyridine-2-carbothioamide
CID 63882102
2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]pyridine-4-carbothioamide
CID 55009052
N'-[4-(aminomethyl)-2-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 55006973
4-[(dimethylamino)methyl]pyridine-2-carbothioamide
CID 63882857
4-[1-methoxypropan-2-yl(methyl)amino]pyridine-2-carbothioamide
CID 62927129
4-[[methyl(propan-2-yl)amino]methyl]pyridine-2-carbothioamide
CID 63881095
4-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pyridine-2-carbothioamide
CID 62926794
4-[1-(4-chlorophenyl)ethyl-methylamino]pyridine-2-carbothioamide
CID 62983627
4-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]pyridine-2-carbothioamide
CID 62927132
4-[2-[methyl(propan-2-yl)amino]ethylamino]pyridine-2-carbothioamide
CID 62926454
ethyl 2-[(2-carbamothioyl-4-pyridinyl)-ethylamino]acetate
CID 62925746
methyl 2-[(2-carbamothioyl-4-pyridinyl)-ethylamino]acetate
CID 62925404

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]pyridine-2-carbothioamide?
The IUPAC name of 4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]pyridine-2-carbothioamide (CID 62925226) is 4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]pyridine-2-carbothioamide.
What is the SMILES notation for 4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]pyridine-2-carbothioamide?
The canonical SMILES for 4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]pyridine-2-carbothioamide is CC(C)CN(CCN(C)C)c1ccnc(C(N)=S)c1.
What is the InChIKey of 4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]pyridine-2-carbothioamide?
The InChIKey is PRLIKDBPJRVLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4S/c1-11(2)10-18(8-7-17(3)4)12-5-6-16-13(9-12)14(15)19/h5-6,9,11H,7-8,10H2,1-4H3,(H2,15,19).
What are the key properties of 4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]pyridine-2-carbothioamide?
4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]pyridine-2-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 4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]pyridine-2-carbothioamide is sourced from PubChem (CID 62925226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).