5-[2-[ethyl(methyl)amino]ethylamino]pyridine-2-carbothioamide

C11H18N4S — CID 115488535

IUPAC5-[2-[ethyl(methyl)amino]ethylamino]pyridine-2-carbothioamide
SMILESCCN(C)CCNc1ccc(C(N)=S)nc1
InChIInChI=1S/C11H18N4S/c1-3-15(2)7-6-13-9-4-5-10(11(12)16)14-8-9/h4-5,8,13H,3,6-7H2,1-2H3,(H2,12,16)
InChIKeyNVGBMAOVZBTOCG-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.08
Rot. Bonds6

About 5-[2-[ethyl(methyl)amino]ethylamino]pyridine-2-carbothioamide

5-[2-[ethyl(methyl)amino]ethylamino]pyridine-2-carbothioamide (PubChem CID 115488535) has the molecular formula C11H18N4S and a molecular weight of 238.36 g/mol. Its IUPAC name is 5-[2-[ethyl(methyl)amino]ethylamino]pyridine-2-carbothioamide.

Molecular Properties

Compound Name5-[2-[ethyl(methyl)amino]ethylamino]pyridine-2-carbothioamide
PubChem CID115488535
Molecular FormulaC11H18N4S
Molecular Weight238.36 g/mol
Exact Mass238.13
IUPAC Name5-[2-[ethyl(methyl)amino]ethylamino]pyridine-2-carbothioamide
SMILESCCN(C)CCNc1ccc(C(N)=S)nc1
InChIInChI=1S/C11H18N4S/c1-3-15(2)7-6-13-9-4-5-10(11(12)16)14-8-9/h4-5,8,13H,3,6-7H2,1-2H3,(H2,12,16)
InChIKeyNVGBMAOVZBTOCG-UHFFFAOYSA-N
XLogP1.08
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.08
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

5-[2-(dimethylamino)ethylamino]pyridine-2-carbothioamide
CID 115488045
2-[2-[ethyl(methyl)amino]ethylamino]pyrimidine-4-carbothioamide
CID 107547316
4-[2-[ethyl(methyl)amino]ethylamino]-2-methylbenzenecarbothioamide
CID 81275873
5-carbamothioyl-N-[2-[ethyl(methyl)amino]ethyl]pyridine-2-carboxamide
CID 63749570
5-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-2-carbothioamide
CID 113320995
5-(2-cyclopropylethylamino)pyridine-2-carbothioamide
CID 115488684
N-[2-[ethyl(methyl)amino]ethyl]-5-(methylamino)pyridine-2-carboxamide
CID 104641145
4-[2-[ethyl(methyl)amino]ethylamino]pyridine-2-carboxamide
CID 62640887
5-(hexan-3-ylamino)pyridine-2-carbothioamide
CID 115488507
5-[2-(2-methylpyrazol-3-yl)ethylamino]pyridine-2-carbothioamide
CID 103007115
5-(2-piperidin-1-ylethylamino)pyridine-2-carbothioamide
CID 113320854
5-(2-cyclohexylethylamino)pyridine-2-carbothioamide
CID 113320813

Frequently Asked Questions

What is the IUPAC name of 5-[2-[ethyl(methyl)amino]ethylamino]pyridine-2-carbothioamide?
The IUPAC name of 5-[2-[ethyl(methyl)amino]ethylamino]pyridine-2-carbothioamide (CID 115488535) is 5-[2-[ethyl(methyl)amino]ethylamino]pyridine-2-carbothioamide.
What is the SMILES notation for 5-[2-[ethyl(methyl)amino]ethylamino]pyridine-2-carbothioamide?
The canonical SMILES for 5-[2-[ethyl(methyl)amino]ethylamino]pyridine-2-carbothioamide is CCN(C)CCNc1ccc(C(N)=S)nc1.
What is the InChIKey of 5-[2-[ethyl(methyl)amino]ethylamino]pyridine-2-carbothioamide?
The InChIKey is NVGBMAOVZBTOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4S/c1-3-15(2)7-6-13-9-4-5-10(11(12)16)14-8-9/h4-5,8,13H,3,6-7H2,1-2H3,(H2,12,16).
What are the key properties of 5-[2-[ethyl(methyl)amino]ethylamino]pyridine-2-carbothioamide?
5-[2-[ethyl(methyl)amino]ethylamino]pyridine-2-carbothioamide has a molecular weight of 238.36 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[ethyl(methyl)amino]ethylamino]pyridine-2-carbothioamide is sourced from PubChem (CID 115488535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).