2-[2-(diethylamino)ethylamino]pyridine-4-carbothioamide

C12H20N4S — CID 24711843

IUPAC2-[2-(diethylamino)ethylamino]pyridine-4-carbothioamide
SMILESCCN(CC)CCNc1cc(C(N)=S)ccn1
InChIInChI=1S/C12H20N4S/c1-3-16(4-2)8-7-15-11-9-10(12(13)17)5-6-14-11/h5-6,9H,3-4,7-8H2,1-2H3,(H2,13,17)(H,14,15)
InChIKeyCIRNTIYKRHWWMY-UHFFFAOYSA-N
MW252.39 g/mol
LogP1.47
Rot. Bonds7

About 2-[2-(diethylamino)ethylamino]pyridine-4-carbothioamide

2-[2-(diethylamino)ethylamino]pyridine-4-carbothioamide (PubChem CID 24711843) has the molecular formula C12H20N4S and a molecular weight of 252.39 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethylamino]pyridine-4-carbothioamide.

Molecular Properties

Compound Name2-[2-(diethylamino)ethylamino]pyridine-4-carbothioamide
PubChem CID24711843
Molecular FormulaC12H20N4S
Molecular Weight252.39 g/mol
Exact Mass252.14
IUPAC Name2-[2-(diethylamino)ethylamino]pyridine-4-carbothioamide
SMILESCCN(CC)CCNc1cc(C(N)=S)ccn1
InChIInChI=1S/C12H20N4S/c1-3-16(4-2)8-7-15-11-9-10(12(13)17)5-6-14-11/h5-6,9H,3-4,7-8H2,1-2H3,(H2,13,17)(H,14,15)
InChIKeyCIRNTIYKRHWWMY-UHFFFAOYSA-N
XLogP1.47
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.39
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-4-carbothioamide
CID 62979400
N-[2-(diethylamino)ethyl]-2-(propylamino)pyridine-4-carboxamide
CID 62173284
2-[(4-ethylphenyl)methylamino]pyridine-4-carbothioamide
CID 106899895
2-[(2-ethoxy-2-methylpropyl)amino]pyridine-4-carbothioamide
CID 114942527
2-(2-pyridin-2-ylethylamino)pyridine-4-carbothioamide
CID 24696486
2-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carbothioamide
CID 24704732
2-(benzylamino)pyridine-4-carbothioamide
CID 24710183
N',N'-diethyl-N-(4-methyl-2-pyridinyl)butane-1,4-diamine
CID 22093246
2-(2-methoxypropylamino)pyridine-4-carbothioamide
CID 102698285
2-[1-(dimethylamino)propan-2-ylamino]pyridine-4-carbothioamide
CID 82939380
2-[2-(diethylamino)ethylamino]benzenecarbothioamide
CID 28601052
2-(1,2-oxazol-3-ylmethylamino)pyridine-4-carbothioamide
CID 81177193

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethylamino]pyridine-4-carbothioamide?
The IUPAC name of 2-[2-(diethylamino)ethylamino]pyridine-4-carbothioamide (CID 24711843) is 2-[2-(diethylamino)ethylamino]pyridine-4-carbothioamide.
What is the SMILES notation for 2-[2-(diethylamino)ethylamino]pyridine-4-carbothioamide?
The canonical SMILES for 2-[2-(diethylamino)ethylamino]pyridine-4-carbothioamide is CCN(CC)CCNc1cc(C(N)=S)ccn1.
What is the InChIKey of 2-[2-(diethylamino)ethylamino]pyridine-4-carbothioamide?
The InChIKey is CIRNTIYKRHWWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4S/c1-3-16(4-2)8-7-15-11-9-10(12(13)17)5-6-14-11/h5-6,9H,3-4,7-8H2,1-2H3,(H2,13,17)(H,14,15).
What are the key properties of 2-[2-(diethylamino)ethylamino]pyridine-4-carbothioamide?
2-[2-(diethylamino)ethylamino]pyridine-4-carbothioamide has a molecular weight of 252.39 g/mol, XLogP of 1.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethylamino]pyridine-4-carbothioamide is sourced from PubChem (CID 24711843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).