2-[(4-carbamothioyl-3-pyridinyl)-methylamino]acetamide

C9H12N4OS — CID 114288187

IUPAC2-[(4-carbamothioyl-3-pyridinyl)-methylamino]acetamide
SMILESCN(CC(N)=O)c1cnccc1C(N)=S
InChIInChI=1S/C9H12N4OS/c1-13(5-8(10)14)7-4-12-3-2-6(7)9(11)15/h2-4H,5H2,1H3,(H2,10,14)(H2,11,15)
InChIKeyALATUMRNMQFFGY-UHFFFAOYSA-N
MW224.29 g/mol
LogP-0.36
Rot. Bonds4

About 2-[(4-carbamothioyl-3-pyridinyl)-methylamino]acetamide

2-[(4-carbamothioyl-3-pyridinyl)-methylamino]acetamide (PubChem CID 114288187) has the molecular formula C9H12N4OS and a molecular weight of 224.29 g/mol. Its IUPAC name is 2-[(4-carbamothioyl-3-pyridinyl)-methylamino]acetamide.

Molecular Properties

Compound Name2-[(4-carbamothioyl-3-pyridinyl)-methylamino]acetamide
PubChem CID114288187
Molecular FormulaC9H12N4OS
Molecular Weight224.29 g/mol
Exact Mass224.07
IUPAC Name2-[(4-carbamothioyl-3-pyridinyl)-methylamino]acetamide
SMILESCN(CC(N)=O)c1cnccc1C(N)=S
InChIInChI=1S/C9H12N4OS/c1-13(5-8(10)14)7-4-12-3-2-6(7)9(11)15/h2-4H,5H2,1H3,(H2,10,14)(H2,11,15)
InChIKeyALATUMRNMQFFGY-UHFFFAOYSA-N
XLogP-0.36
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 5-0.36
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

ethyl 2-[(4-carbamothioyl-3-pyridinyl)-methylamino]acetate
CID 114288353
2-[(4-carbamothioyl-3-pyridinyl)-methylamino]-N-propylacetamide
CID 113269585
3-[2-hydroxyethyl(methyl)amino]pyridine-4-carbothioamide
CID 114288238
2-[(4-carbamothioyl-3-pyridinyl)-(2-methylpropyl)amino]acetamide
CID 114288382
2-[butyl-(4-carbamothioyl-3-pyridinyl)amino]acetamide
CID 113269629
3-[methyl(3,3,3-trifluoropropyl)amino]pyridine-4-carbothioamide
CID 114288619
3-[methyl(3-methylbutyl)amino]pyridine-4-carbothioamide
CID 114288272
3-[methyl(2-pyrrolidin-1-ylethyl)amino]pyridine-4-carbothioamide
CID 114288533
3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridine-4-carbothioamide
CID 113269580
3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyridine-4-carbothioamide
CID 114288408
2-(2-carbamothioyl-4-fluoro-N-methylanilino)acetamide
CID 63672665
3-[ethyl(pyridin-4-ylmethyl)amino]pyridine-4-carbothioamide
CID 114288289

Frequently Asked Questions

What is the IUPAC name of 2-[(4-carbamothioyl-3-pyridinyl)-methylamino]acetamide?
The IUPAC name of 2-[(4-carbamothioyl-3-pyridinyl)-methylamino]acetamide (CID 114288187) is 2-[(4-carbamothioyl-3-pyridinyl)-methylamino]acetamide.
What is the SMILES notation for 2-[(4-carbamothioyl-3-pyridinyl)-methylamino]acetamide?
The canonical SMILES for 2-[(4-carbamothioyl-3-pyridinyl)-methylamino]acetamide is CN(CC(N)=O)c1cnccc1C(N)=S.
What is the InChIKey of 2-[(4-carbamothioyl-3-pyridinyl)-methylamino]acetamide?
The InChIKey is ALATUMRNMQFFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4OS/c1-13(5-8(10)14)7-4-12-3-2-6(7)9(11)15/h2-4H,5H2,1H3,(H2,10,14)(H2,11,15).
What are the key properties of 2-[(4-carbamothioyl-3-pyridinyl)-methylamino]acetamide?
2-[(4-carbamothioyl-3-pyridinyl)-methylamino]acetamide has a molecular weight of 224.29 g/mol, XLogP of -0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-carbamothioyl-3-pyridinyl)-methylamino]acetamide is sourced from PubChem (CID 114288187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).