4-[[2-(2,5-dimethylphenyl)imino-4-methyl-1,3-thiazol-3-yl]iminomethyl]benzene-1,3-diol

C19H19N3O2S — CID 135847498

IUPAC4-[[2-(2,5-dimethylphenyl)imino-4-methyl-1,3-thiazol-3-yl]iminomethyl]benzene-1,3-diol
SMILESCc1ccc(C)c(/N=c2\scc(C)n2N=Cc2ccc(O)cc2O)c1
InChIInChI=1S/C19H19N3O2S/c1-12-4-5-13(2)17(8-12)21-19-22(14(3)11-25-19)20-10-15-6-7-16(23)9-18(15)24/h4-11,23-24H,1-3H3/b20-10?,21-19-
InChIKeyRCEPXDAKECBUEK-WXTJIABQSA-N
MW353.45 g/mol
LogP4.00
Rot. Bonds3

About 4-[[2-(2,5-dimethylphenyl)imino-4-methyl-1,3-thiazol-3-yl]iminomethyl]benzene-1,3-diol

4-[[2-(2,5-dimethylphenyl)imino-4-methyl-1,3-thiazol-3-yl]iminomethyl]benzene-1,3-diol (PubChem CID 135847498) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is 4-[[2-(2,5-dimethylphenyl)imino-4-methyl-1,3-thiazol-3-yl]iminomethyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[[2-(2,5-dimethylphenyl)imino-4-methyl-1,3-thiazol-3-yl]iminomethyl]benzene-1,3-diol
PubChem CID135847498
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name4-[[2-(2,5-dimethylphenyl)imino-4-methyl-1,3-thiazol-3-yl]iminomethyl]benzene-1,3-diol
SMILESCc1ccc(C)c(/N=c2\scc(C)n2N=Cc2ccc(O)cc2O)c1
InChIInChI=1S/C19H19N3O2S/c1-12-4-5-13(2)17(8-12)21-19-22(14(3)11-25-19)20-10-15-6-7-16(23)9-18(15)24/h4-11,23-24H,1-3H3/b20-10?,21-19-
InChIKeyRCEPXDAKECBUEK-WXTJIABQSA-N
XLogP4.00
TPSA70.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-[[2-(2,4-dimethylphenyl)imino-4-thiophen-2-yl-1,3-thiazol-3-yl]iminomethyl]benzene-1,3-diol
CID 135721919
3-[[4-(1-benzofuran-2-yl)-2-(2,5-dimethylphenyl)imino-1,3-thiazol-3-yl]iminomethyl]benzene-1,2-diol
CID 135618853
4-[(4-methyl-2-methylimino-1,3-thiazol-3-yl)iminomethyl]benzene-1,2,3-triol
CID 2393563
N'-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-N-(2,5-dimethylphenyl)butanediamide
CID 135560200
N-(2,5-dimethylphenyl)-4-methyl-3-morpholin-4-yl-1,3-thiazol-2-imine
CID 8669893
2-ethoxy-4-[(2-ethylimino-4-methyl-1,3-thiazol-3-yl)iminomethyl]phenol
CID 135618841
4-bromo-2-[(4-methyl-2-propan-2-ylimino-1,3-thiazol-3-yl)iminomethyl]phenol
CID 135845894
4-(2,4-dichlorophenyl)-N-(2,5-dimethylphenyl)-3-[(4-morpholin-4-ylphenyl)methylideneamino]-1,3-thiazol-2-imine
CID 2431698
6-[3-[(2,4-dihydroxyphenyl)methylideneamino]-2-(2,6-dimethylphenyl)imino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one
CID 135739864
3-[(5-bromo-1H-indol-3-yl)methylideneamino]-4-methyl-N-(4-methylphenyl)-1,3-thiazol-2-imine
CID 135849959
4-(1-benzofuran-2-yl)-N-(2,5-dimethylphenyl)-3-[(4-methoxyphenyl)methylideneamino]-1,3-thiazol-2-imine
CID 2339004
4-[[4-(2,4-dichlorophenyl)-2-propan-2-ylimino-1,3-thiazol-3-yl]iminomethyl]benzene-1,3-diol
CID 135693029

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2,5-dimethylphenyl)imino-4-methyl-1,3-thiazol-3-yl]iminomethyl]benzene-1,3-diol?
The IUPAC name of 4-[[2-(2,5-dimethylphenyl)imino-4-methyl-1,3-thiazol-3-yl]iminomethyl]benzene-1,3-diol (CID 135847498) is 4-[[2-(2,5-dimethylphenyl)imino-4-methyl-1,3-thiazol-3-yl]iminomethyl]benzene-1,3-diol.
What is the SMILES notation for 4-[[2-(2,5-dimethylphenyl)imino-4-methyl-1,3-thiazol-3-yl]iminomethyl]benzene-1,3-diol?
The canonical SMILES for 4-[[2-(2,5-dimethylphenyl)imino-4-methyl-1,3-thiazol-3-yl]iminomethyl]benzene-1,3-diol is Cc1ccc(C)c(/N=c2\scc(C)n2N=Cc2ccc(O)cc2O)c1.
What is the InChIKey of 4-[[2-(2,5-dimethylphenyl)imino-4-methyl-1,3-thiazol-3-yl]iminomethyl]benzene-1,3-diol?
The InChIKey is RCEPXDAKECBUEK-WXTJIABQSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-12-4-5-13(2)17(8-12)21-19-22(14(3)11-25-19)20-10-15-6-7-16(23)9-18(15)24/h4-11,23-24H,1-3H3/b20-10?,21-19-.
What are the key properties of 4-[[2-(2,5-dimethylphenyl)imino-4-methyl-1,3-thiazol-3-yl]iminomethyl]benzene-1,3-diol?
4-[[2-(2,5-dimethylphenyl)imino-4-methyl-1,3-thiazol-3-yl]iminomethyl]benzene-1,3-diol has a molecular weight of 353.45 g/mol, XLogP of 4.00, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2,5-dimethylphenyl)imino-4-methyl-1,3-thiazol-3-yl]iminomethyl]benzene-1,3-diol is sourced from PubChem (CID 135847498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).