4-[(E)-[4-(2,4-dichlorophenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]-2-methoxyphenol

C18H15Cl2N3O2S — CID 135849491

IUPAC4-[(E)-[4-(2,4-dichlorophenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]-2-methoxyphenol
SMILESC/N=c1\scc(-c2ccc(Cl)cc2Cl)n1/N=C/c1ccc(O)c(OC)c1
InChIInChI=1S/C18H15Cl2N3O2S/c1-21-18-23(22-9-11-3-6-16(24)17(7-11)25-2)15(10-26-18)13-5-4-12(19)8-14(13)20/h3-10,24H,1-2H3/b21-18-,22-9+
InChIKeyWLFTUQPESAZOFO-NZYSDVMMSA-N
MW408.31 g/mol
LogP4.65
Rot. Bonds4

About 4-[(E)-[4-(2,4-dichlorophenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]-2-methoxyphenol

4-[(E)-[4-(2,4-dichlorophenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]-2-methoxyphenol (PubChem CID 135849491) has the molecular formula C18H15Cl2N3O2S and a molecular weight of 408.31 g/mol. Its IUPAC name is 4-[(E)-[4-(2,4-dichlorophenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[(E)-[4-(2,4-dichlorophenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]-2-methoxyphenol
PubChem CID135849491
Molecular FormulaC18H15Cl2N3O2S
Molecular Weight408.31 g/mol
Exact Mass407.03
IUPAC Name4-[(E)-[4-(2,4-dichlorophenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]-2-methoxyphenol
SMILESC/N=c1\scc(-c2ccc(Cl)cc2Cl)n1/N=C/c1ccc(O)c(OC)c1
InChIInChI=1S/C18H15Cl2N3O2S/c1-21-18-23(22-9-11-3-6-16(24)17(7-11)25-2)15(10-26-18)13-5-4-12(19)8-14(13)20/h3-10,24H,1-2H3/b21-18-,22-9+
InChIKeyWLFTUQPESAZOFO-NZYSDVMMSA-N
XLogP4.65
TPSA59.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.31
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-[[4-(2,4-dichlorophenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]phenol
CID 135769185
4-(2,4-dichlorophenyl)-N-prop-2-enyl-3-[(3,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine
CID 23852726
2-bromo-4-[(E)-[4-(2,4-dichlorophenyl)-2-(2-methoxyethylimino)-1,3-thiazol-3-yl]iminomethyl]-6-methoxyphenol
CID 135691072
4-(2,5-dichlorophenyl)-N-methyl-3-[(2,4,6-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine
CID 23879515
4-[[4-(2,4-dichlorophenyl)-2-(2-methylprop-2-enylimino)-1,3-thiazol-3-yl]iminomethyl]phenol
CID 135709953
4-[(E)-[4-(2,4-dichlorophenyl)-2-(2-methoxyethylimino)-1,3-thiazol-3-yl]iminomethyl]benzonitrile
CID 6902479
(E)-4-(2,4-dichlorophenyl)-3-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-N-(2-methoxyethyl)-1,3-thiazol-2-imine
CID 6904700
2-[[4-(2,5-dimethoxyphenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]-4-methoxyphenol
CID 135592033
3-[(4-methoxyphenyl)methylideneamino]-N-methyl-4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-imine
CID 3335144
2,6-dibromo-4-[[4-(2-methoxyphenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]phenol
CID 135843358
4-bromo-2-[[4-(2,4-dimethoxyphenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]phenol
CID 135778653
4-(2,4-dimethoxyphenyl)-3-[[3-methoxy-4-(2-methylpropoxy)phenyl]methylideneamino]-N-methyl-1,3-thiazol-2-imine
CID 23800240

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[4-(2,4-dichlorophenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]-2-methoxyphenol?
The IUPAC name of 4-[(E)-[4-(2,4-dichlorophenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]-2-methoxyphenol (CID 135849491) is 4-[(E)-[4-(2,4-dichlorophenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]-2-methoxyphenol.
What is the SMILES notation for 4-[(E)-[4-(2,4-dichlorophenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]-2-methoxyphenol?
The canonical SMILES for 4-[(E)-[4-(2,4-dichlorophenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]-2-methoxyphenol is C/N=c1\scc(-c2ccc(Cl)cc2Cl)n1/N=C/c1ccc(O)c(OC)c1.
What is the InChIKey of 4-[(E)-[4-(2,4-dichlorophenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]-2-methoxyphenol?
The InChIKey is WLFTUQPESAZOFO-NZYSDVMMSA-N. The full InChI is InChI=1S/C18H15Cl2N3O2S/c1-21-18-23(22-9-11-3-6-16(24)17(7-11)25-2)15(10-26-18)13-5-4-12(19)8-14(13)20/h3-10,24H,1-2H3/b21-18-,22-9+.
What are the key properties of 4-[(E)-[4-(2,4-dichlorophenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]-2-methoxyphenol?
4-[(E)-[4-(2,4-dichlorophenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]-2-methoxyphenol has a molecular weight of 408.31 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[4-(2,4-dichlorophenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]-2-methoxyphenol is sourced from PubChem (CID 135849491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).