4-hydroxy-3-methyl-5-[(2-methylphenyl)iminomethyl]-1,3-thiazole-2-thione

C12H12N2OS2 — CID 3404736

IUPAC4-hydroxy-3-methyl-5-[(2-methylphenyl)iminomethyl]-1,3-thiazole-2-thione
SMILESCc1ccccc1/N=C/c1sc(=S)n(C)c1O
InChIInChI=1S/C12H12N2OS2/c1-8-5-3-4-6-9(8)13-7-10-11(15)14(2)12(16)17-10/h3-7,15H,1-2H3/b13-7+
InChIKeyMRNVTDZAUIPMGL-NTUHNPAUSA-N
MW264.38 g/mol
LogP3.58
Rot. Bonds2

About 4-hydroxy-3-methyl-5-[(2-methylphenyl)iminomethyl]-1,3-thiazole-2-thione

4-hydroxy-3-methyl-5-[(2-methylphenyl)iminomethyl]-1,3-thiazole-2-thione (PubChem CID 3404736) has the molecular formula C12H12N2OS2 and a molecular weight of 264.38 g/mol. Its IUPAC name is 4-hydroxy-3-methyl-5-[(2-methylphenyl)iminomethyl]-1,3-thiazole-2-thione.

Molecular Properties

Compound Name4-hydroxy-3-methyl-5-[(2-methylphenyl)iminomethyl]-1,3-thiazole-2-thione
PubChem CID3404736
Molecular FormulaC12H12N2OS2
Molecular Weight264.38 g/mol
Exact Mass264.04
IUPAC Name4-hydroxy-3-methyl-5-[(2-methylphenyl)iminomethyl]-1,3-thiazole-2-thione
SMILESCc1ccccc1/N=C/c1sc(=S)n(C)c1O
InChIInChI=1S/C12H12N2OS2/c1-8-5-3-4-6-9(8)13-7-10-11(15)14(2)12(16)17-10/h3-7,15H,1-2H3/b13-7+
InChIKeyMRNVTDZAUIPMGL-NTUHNPAUSA-N
XLogP3.58
TPSA37.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.38
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-hydroxy-3-methyl-5-[(2-methylphenyl)iminomethyl]-1,3-thiazole-2-thione 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-hydroxy-3-methyl-5-[(2-methylphenyl)iminomethyl]-1,3-thiazole-2-thione?
The IUPAC name of 4-hydroxy-3-methyl-5-[(2-methylphenyl)iminomethyl]-1,3-thiazole-2-thione (CID 3404736) is 4-hydroxy-3-methyl-5-[(2-methylphenyl)iminomethyl]-1,3-thiazole-2-thione.
What is the SMILES notation for 4-hydroxy-3-methyl-5-[(2-methylphenyl)iminomethyl]-1,3-thiazole-2-thione?
The canonical SMILES for 4-hydroxy-3-methyl-5-[(2-methylphenyl)iminomethyl]-1,3-thiazole-2-thione is Cc1ccccc1/N=C/c1sc(=S)n(C)c1O.
What is the InChIKey of 4-hydroxy-3-methyl-5-[(2-methylphenyl)iminomethyl]-1,3-thiazole-2-thione?
The InChIKey is MRNVTDZAUIPMGL-NTUHNPAUSA-N. The full InChI is InChI=1S/C12H12N2OS2/c1-8-5-3-4-6-9(8)13-7-10-11(15)14(2)12(16)17-10/h3-7,15H,1-2H3/b13-7+.
What are the key properties of 4-hydroxy-3-methyl-5-[(2-methylphenyl)iminomethyl]-1,3-thiazole-2-thione?
4-hydroxy-3-methyl-5-[(2-methylphenyl)iminomethyl]-1,3-thiazole-2-thione has a molecular weight of 264.38 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-methyl-5-[(2-methylphenyl)iminomethyl]-1,3-thiazole-2-thione is sourced from PubChem (CID 3404736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).