2-[(6-carbamothioyl-2-pyridinyl)-methylamino]-N-(2-methoxyethyl)acetamide

C12H18N4O2S — CID 64587464

IUPAC2-[(6-carbamothioyl-2-pyridinyl)-methylamino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN(C)c1cccc(C(N)=S)n1
InChIInChI=1S/C12H18N4O2S/c1-16(8-11(17)14-6-7-18-2)10-5-3-4-9(15-10)12(13)19/h3-5H,6-8H2,1-2H3,(H2,13,19)(H,14,17)
InChIKeyXYYGVJDHEKAPAW-UHFFFAOYSA-N
MW282.37 g/mol
LogP-0.09
Rot. Bonds7

About 2-[(6-carbamothioyl-2-pyridinyl)-methylamino]-N-(2-methoxyethyl)acetamide

2-[(6-carbamothioyl-2-pyridinyl)-methylamino]-N-(2-methoxyethyl)acetamide (PubChem CID 64587464) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is 2-[(6-carbamothioyl-2-pyridinyl)-methylamino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[(6-carbamothioyl-2-pyridinyl)-methylamino]-N-(2-methoxyethyl)acetamide
PubChem CID64587464
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC Name2-[(6-carbamothioyl-2-pyridinyl)-methylamino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN(C)c1cccc(C(N)=S)n1
InChIInChI=1S/C12H18N4O2S/c1-16(8-11(17)14-6-7-18-2)10-5-3-4-9(15-10)12(13)19/h3-5H,6-8H2,1-2H3,(H2,13,19)(H,14,17)
InChIKeyXYYGVJDHEKAPAW-UHFFFAOYSA-N
XLogP-0.09
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-aminopyrazin-2-yl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 80652005
2-[(2-carbamothioyl-4-pyridinyl)methyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 63882099
6-[1-methoxypropan-2-yl(methyl)amino]pyridine-2-carbothioamide
CID 64589442
2-[2-(aminomethyl)-3-chloro-N-methylanilino]-N-(2-methoxyethyl)acetamide
CID 55135596
2-[(3-amino-6-methyl-2-pyridinyl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 81132098
3-amino-2-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]benzoic acid
CID 115934570
2-[(5-formyl-2-pyridinyl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 80638047
6-(dimethylamino)pyridine-2-carbothioamide
CID 64587455
2-[(5-bromo-1,3,4-thiadiazol-2-yl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 64624526
2-[(4,6-dichloro-1,3,5-triazin-2-yl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 55023792
N-(2-methoxyethyl)-2-[methyl-[6-(methylamino)pyrimidin-4-yl]amino]acetamide
CID 80806380
6-[3-methoxypropyl(methyl)amino]pyridine-2-carboxylic acid
CID 63009746

Frequently Asked Questions

What is the IUPAC name of 2-[(6-carbamothioyl-2-pyridinyl)-methylamino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[(6-carbamothioyl-2-pyridinyl)-methylamino]-N-(2-methoxyethyl)acetamide (CID 64587464) is 2-[(6-carbamothioyl-2-pyridinyl)-methylamino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[(6-carbamothioyl-2-pyridinyl)-methylamino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[(6-carbamothioyl-2-pyridinyl)-methylamino]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CN(C)c1cccc(C(N)=S)n1.
What is the InChIKey of 2-[(6-carbamothioyl-2-pyridinyl)-methylamino]-N-(2-methoxyethyl)acetamide?
The InChIKey is XYYGVJDHEKAPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S/c1-16(8-11(17)14-6-7-18-2)10-5-3-4-9(15-10)12(13)19/h3-5H,6-8H2,1-2H3,(H2,13,19)(H,14,17).
What are the key properties of 2-[(6-carbamothioyl-2-pyridinyl)-methylamino]-N-(2-methoxyethyl)acetamide?
2-[(6-carbamothioyl-2-pyridinyl)-methylamino]-N-(2-methoxyethyl)acetamide has a molecular weight of 282.37 g/mol, XLogP of -0.09, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-carbamothioyl-2-pyridinyl)-methylamino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 64587464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).