2-[(5-carbamothioyl-2-pyridinyl)-methylamino]acetamide

C9H12N4OS — CID 43374278

IUPAC2-[(5-carbamothioyl-2-pyridinyl)-methylamino]acetamide
SMILESCN(CC(N)=O)c1ccc(C(N)=S)cn1
InChIInChI=1S/C9H12N4OS/c1-13(5-7(10)14)8-3-2-6(4-12-8)9(11)15/h2-4H,5H2,1H3,(H2,10,14)(H2,11,15)
InChIKeyRSWCYLNIWVUIAU-UHFFFAOYSA-N
MW224.29 g/mol
LogP-0.36
Rot. Bonds4

About 2-[(5-carbamothioyl-2-pyridinyl)-methylamino]acetamide

2-[(5-carbamothioyl-2-pyridinyl)-methylamino]acetamide (PubChem CID 43374278) has the molecular formula C9H12N4OS and a molecular weight of 224.29 g/mol. Its IUPAC name is 2-[(5-carbamothioyl-2-pyridinyl)-methylamino]acetamide.

Molecular Properties

Compound Name2-[(5-carbamothioyl-2-pyridinyl)-methylamino]acetamide
PubChem CID43374278
Molecular FormulaC9H12N4OS
Molecular Weight224.29 g/mol
Exact Mass224.07
IUPAC Name2-[(5-carbamothioyl-2-pyridinyl)-methylamino]acetamide
SMILESCN(CC(N)=O)c1ccc(C(N)=S)cn1
InChIInChI=1S/C9H12N4OS/c1-13(5-7(10)14)8-3-2-6(4-12-8)9(11)15/h2-4H,5H2,1H3,(H2,10,14)(H2,11,15)
InChIKeyRSWCYLNIWVUIAU-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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Frequently Asked Questions

What is the IUPAC name of 2-[(5-carbamothioyl-2-pyridinyl)-methylamino]acetamide?
The IUPAC name of 2-[(5-carbamothioyl-2-pyridinyl)-methylamino]acetamide (CID 43374278) is 2-[(5-carbamothioyl-2-pyridinyl)-methylamino]acetamide.
What is the SMILES notation for 2-[(5-carbamothioyl-2-pyridinyl)-methylamino]acetamide?
The canonical SMILES for 2-[(5-carbamothioyl-2-pyridinyl)-methylamino]acetamide is CN(CC(N)=O)c1ccc(C(N)=S)cn1.
What is the InChIKey of 2-[(5-carbamothioyl-2-pyridinyl)-methylamino]acetamide?
The InChIKey is RSWCYLNIWVUIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4OS/c1-13(5-7(10)14)8-3-2-6(4-12-8)9(11)15/h2-4H,5H2,1H3,(H2,10,14)(H2,11,15).
What are the key properties of 2-[(5-carbamothioyl-2-pyridinyl)-methylamino]acetamide?
2-[(5-carbamothioyl-2-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-[(5-carbamothioyl-2-pyridinyl)-methylamino]acetamide is sourced from PubChem (CID 43374278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).