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'}

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Related Compounds

4-hydroxy-5-[(3-hydroxyphenyl)iminomethyl]-3-methyl-1,3-thiazole-2-thione
CID 3774507
3-butyl-4-hydroxy-5-[(2-methylphenyl)iminomethyl]-1,3-thiazol-2-one
CID 135941279
4-hydroxy-5-[(2-methoxyphenyl)iminomethyl]-3-pentyl-1,3-thiazole-2-thione
CID 135398859
3-cyclopentyl-4-hydroxy-5-[(2-methoxyphenyl)iminomethyl]-1,3-thiazole-2-thione
CID 135398845
5-[(2-bromophenyl)iminomethyl]-3-cyclohexyl-4-hydroxy-1,3-thiazole-2-thione
CID 135398839
3-(furan-2-ylmethyl)-4-hydroxy-5-[(2-hydroxyphenyl)iminomethyl]-1,3-thiazole-2-thione
CID 137249229
4-hydroxy-3-methyl-5-[(3-methylphenyl)iminomethyl]-1,3-thiazol-2-one
CID 135941223
methyl 2-[(4-hydroxy-3-prop-2-enyl-2-sulfanylidene-1,3-thiazol-5-yl)methylideneamino]benzoate
CID 4570410
carbanide;chromium;2-methyl-6-[(2-methylphenyl)iminomethyl]phenol
CID 135967147
5-[(2,4-difluorophenyl)iminomethyl]-4-hydroxy-3-[(1R)-1-phenylethyl]-1,3-thiazole-2-thione
CID 135677783
3-ethyl-4-hydroxy-5-[(2-methylphenyl)diazenyl]-1,3-thiazole-2-thione
CID 135672444
4-hydroxy-3-methyl-5-[(4-methylphenyl)iminomethyl]-1,3-thiazol-2-one
CID 135941224

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).