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

C6H10N2OS2 — CID 123567592

IUPAC[4-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3-thiazol-2-yl]methanamine
SMILESC=S(C)(=O)c1csc(CN)n1
InChIInChI=1S/C6H10N2OS2/c1-11(2,9)6-4-10-5(3-7)8-6/h4H,1,3,7H2,2H3
InChIKeyXVADZEDCELZPSV-UHFFFAOYSA-N
MW190.29 g/mol
LogP0.31
Rot. Bonds2

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

[4-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3-thiazol-2-yl]methanamine (PubChem CID 123567592) has the molecular formula C6H10N2OS2 and a molecular weight of 190.29 g/mol. Its IUPAC name is [4-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[4-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3-thiazol-2-yl]methanamine
PubChem CID123567592
Molecular FormulaC6H10N2OS2
Molecular Weight190.29 g/mol
Exact Mass190.02
IUPAC Name[4-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3-thiazol-2-yl]methanamine
SMILESC=S(C)(=O)c1csc(CN)n1
InChIInChI=1S/C6H10N2OS2/c1-11(2,9)6-4-10-5(3-7)8-6/h4H,1,3,7H2,2H3
InChIKeyXVADZEDCELZPSV-UHFFFAOYSA-N
XLogP0.31
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [4-(methyl-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-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [4-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3-thiazol-2-yl]methanamine (CID 123567592) is [4-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [4-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [4-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3-thiazol-2-yl]methanamine is C=S(C)(=O)c1csc(CN)n1.
What is the InChIKey of [4-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3-thiazol-2-yl]methanamine?
The InChIKey is XVADZEDCELZPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2OS2/c1-11(2,9)6-4-10-5(3-7)8-6/h4H,1,3,7H2,2H3.
What are the key properties of [4-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3-thiazol-2-yl]methanamine?
[4-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3-thiazol-2-yl]methanamine has a molecular weight of 190.29 g/mol, XLogP of 0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 123567592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).