[4-(amino-methylidene-oxo-λ6-sulfanyl)-1,3-thiazol-2-yl]methanamine

C5H9N3OS2 — CID 157367138

IUPAC[4-(amino-methylidene-oxo-λ6-sulfanyl)-1,3-thiazol-2-yl]methanamine
SMILESC=S(N)(=O)c1csc(CN)n1
InChIInChI=1S/C5H9N3OS2/c1-11(7,9)5-3-10-4(2-6)8-5/h3H,1-2,6H2,(H2,7,9)
InChIKeyLPRITFHVHMTGQU-UHFFFAOYSA-N
MW191.28 g/mol
LogP-0.45
Rot. Bonds2

About [4-(amino-methylidene-oxo-λ6-sulfanyl)-1,3-thiazol-2-yl]methanamine

[4-(amino-methylidene-oxo-λ6-sulfanyl)-1,3-thiazol-2-yl]methanamine (PubChem CID 157367138) has the molecular formula C5H9N3OS2 and a molecular weight of 191.28 g/mol. Its IUPAC name is [4-(amino-methylidene-oxo-λ6-sulfanyl)-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[4-(amino-methylidene-oxo-λ6-sulfanyl)-1,3-thiazol-2-yl]methanamine
PubChem CID157367138
Molecular FormulaC5H9N3OS2
Molecular Weight191.28 g/mol
Exact Mass191.02
IUPAC Name[4-(amino-methylidene-oxo-λ6-sulfanyl)-1,3-thiazol-2-yl]methanamine
SMILESC=S(N)(=O)c1csc(CN)n1
InChIInChI=1S/C5H9N3OS2/c1-11(7,9)5-3-10-4(2-6)8-5/h3H,1-2,6H2,(H2,7,9)
InChIKeyLPRITFHVHMTGQU-UHFFFAOYSA-N
XLogP-0.45
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [4-(amino-methylidene-oxo-λ6-sulfanyl)-1,3-thiazol-2-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(amino-methylidene-oxo-λ6-sulfanyl)-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [4-(amino-methylidene-oxo-λ6-sulfanyl)-1,3-thiazol-2-yl]methanamine (CID 157367138) is [4-(amino-methylidene-oxo-λ6-sulfanyl)-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [4-(amino-methylidene-oxo-λ6-sulfanyl)-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [4-(amino-methylidene-oxo-λ6-sulfanyl)-1,3-thiazol-2-yl]methanamine is C=S(N)(=O)c1csc(CN)n1.
What is the InChIKey of [4-(amino-methylidene-oxo-λ6-sulfanyl)-1,3-thiazol-2-yl]methanamine?
The InChIKey is LPRITFHVHMTGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3OS2/c1-11(7,9)5-3-10-4(2-6)8-5/h3H,1-2,6H2,(H2,7,9).
What are the key properties of [4-(amino-methylidene-oxo-λ6-sulfanyl)-1,3-thiazol-2-yl]methanamine?
[4-(amino-methylidene-oxo-λ6-sulfanyl)-1,3-thiazol-2-yl]methanamine has a molecular weight of 191.28 g/mol, XLogP of -0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(amino-methylidene-oxo-λ6-sulfanyl)-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 157367138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).