2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoethanethioamide

C6H8N4OS2 — CID 54356772

IUPAC2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoethanethioamide
SMILESCON=C(C(N)=S)c1csc(N)n1
InChIInChI=1S/C6H8N4OS2/c1-11-10-4(5(7)12)3-2-13-6(8)9-3/h2H,1H3,(H2,7,12)(H2,8,9)
InChIKeyJSLOQOMQIMEBOK-UHFFFAOYSA-N
MW216.29 g/mol
LogP0.36
Rot. Bonds3

About 2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoethanethioamide

2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoethanethioamide (PubChem CID 54356772) has the molecular formula C6H8N4OS2 and a molecular weight of 216.29 g/mol. Its IUPAC name is 2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoethanethioamide.

Molecular Properties

Compound Name2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoethanethioamide
PubChem CID54356772
Molecular FormulaC6H8N4OS2
Molecular Weight216.29 g/mol
Exact Mass216.01
IUPAC Name2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoethanethioamide
SMILESCON=C(C(N)=S)c1csc(N)n1
InChIInChI=1S/C6H8N4OS2/c1-11-10-4(5(7)12)3-2-13-6(8)9-3/h2H,1H3,(H2,7,12)(H2,8,9)
InChIKeyJSLOQOMQIMEBOK-UHFFFAOYSA-N
XLogP0.36
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoethanethioamide?
The IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoethanethioamide (CID 54356772) is 2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoethanethioamide.
What is the SMILES notation for 2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoethanethioamide?
The canonical SMILES for 2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoethanethioamide is CON=C(C(N)=S)c1csc(N)n1.
What is the InChIKey of 2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoethanethioamide?
The InChIKey is JSLOQOMQIMEBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4OS2/c1-11-10-4(5(7)12)3-2-13-6(8)9-3/h2H,1H3,(H2,7,12)(H2,8,9).
What are the key properties of 2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoethanethioamide?
2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoethanethioamide has a molecular weight of 216.29 g/mol, XLogP of 0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoethanethioamide is sourced from PubChem (CID 54356772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).