2-[2-(dimethylamino)ethyl-methylamino]pyridine-4-carbothioamide

C11H18N4S — CID 63695419

IUPAC2-[2-(dimethylamino)ethyl-methylamino]pyridine-4-carbothioamide
SMILESCN(C)CCN(C)c1cc(C(N)=S)ccn1
InChIInChI=1S/C11H18N4S/c1-14(2)6-7-15(3)10-8-9(11(12)16)4-5-13-10/h4-5,8H,6-7H2,1-3H3,(H2,12,16)
InChIKeyGRAOWIYXLOHVCU-UHFFFAOYSA-N
MW238.36 g/mol
LogP0.71
Rot. Bonds5

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

2-[2-(dimethylamino)ethyl-methylamino]pyridine-4-carbothioamide (PubChem CID 63695419) has the molecular formula C11H18N4S and a molecular weight of 238.36 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl-methylamino]pyridine-4-carbothioamide.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl-methylamino]pyridine-4-carbothioamide
PubChem CID63695419
Molecular FormulaC11H18N4S
Molecular Weight238.36 g/mol
Exact Mass238.13
IUPAC Name2-[2-(dimethylamino)ethyl-methylamino]pyridine-4-carbothioamide
SMILESCN(C)CCN(C)c1cc(C(N)=S)ccn1
InChIInChI=1S/C11H18N4S/c1-14(2)6-7-15(3)10-8-9(11(12)16)4-5-13-10/h4-5,8H,6-7H2,1-3H3,(H2,12,16)
InChIKeyGRAOWIYXLOHVCU-UHFFFAOYSA-N
XLogP0.71
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 50.71
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-(2-methylpropyl)amino]pyridine-4-carbothioamide
CID 55009052
2-[(4-carbamothioyl-2-pyridinyl)-methylamino]-N,N-diethylacetamide
CID 61452633
2-[2-(dimethylamino)ethoxy]pyridine-4-carbothioamide
CID 61102474
2-[(2-hydroxy-3-methoxypropyl)-methylamino]pyridine-4-carbothioamide
CID 54998776
2-[ethyl(2-hydroxyethyl)amino]pyridine-4-carbothioamide
CID 60981724
2-[methyl(oxan-4-ylmethyl)amino]pyridine-4-carbothioamide
CID 63706028
2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pyridine-4-carbothioamide
CID 55260386
[2-[2-(dimethylamino)ethyl-methylamino]-4-pyridinyl]methanol
CID 63698708
3-chloro-4-[2-(dimethylamino)ethyl-methylamino]benzenecarbothioamide
CID 63694049
2-[methyl(pentan-2-yl)amino]pyridine-4-carbothioamide
CID 43572453
2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyridine-4-carbothioamide
CID 63234244
2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]pyridine-4-carbothioamide
CID 79318536

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl-methylamino]pyridine-4-carbothioamide?
The IUPAC name of 2-[2-(dimethylamino)ethyl-methylamino]pyridine-4-carbothioamide (CID 63695419) is 2-[2-(dimethylamino)ethyl-methylamino]pyridine-4-carbothioamide.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl-methylamino]pyridine-4-carbothioamide?
The canonical SMILES for 2-[2-(dimethylamino)ethyl-methylamino]pyridine-4-carbothioamide is CN(C)CCN(C)c1cc(C(N)=S)ccn1.
What is the InChIKey of 2-[2-(dimethylamino)ethyl-methylamino]pyridine-4-carbothioamide?
The InChIKey is GRAOWIYXLOHVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4S/c1-14(2)6-7-15(3)10-8-9(11(12)16)4-5-13-10/h4-5,8H,6-7H2,1-3H3,(H2,12,16).
What are the key properties of 2-[2-(dimethylamino)ethyl-methylamino]pyridine-4-carbothioamide?
2-[2-(dimethylamino)ethyl-methylamino]pyridine-4-carbothioamide has a molecular weight of 238.36 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl-methylamino]pyridine-4-carbothioamide is sourced from PubChem (CID 63695419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).