2-bromo-4-[(E)-[4-(3-bromophenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]-6-methoxyphenol

C18H15Br2N3O2S — CID 135606211

IUPAC2-bromo-4-[(E)-[4-(3-bromophenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]-6-methoxyphenol
SMILESC/N=c1\scc(-c2cccc(Br)c2)n1/N=C/c1cc(Br)c(O)c(OC)c1
InChIInChI=1S/C18H15Br2N3O2S/c1-21-18-23(15(10-26-18)12-4-3-5-13(19)8-12)22-9-11-6-14(20)17(24)16(7-11)25-2/h3-10,24H,1-2H3/b21-18-,22-9+
InChIKeyUVVLIWUAELJFLK-NZYSDVMMSA-N
MW497.21 g/mol
LogP4.87
Rot. Bonds4

About 2-bromo-4-[(E)-[4-(3-bromophenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]-6-methoxyphenol

2-bromo-4-[(E)-[4-(3-bromophenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]-6-methoxyphenol (PubChem CID 135606211) has the molecular formula C18H15Br2N3O2S and a molecular weight of 497.21 g/mol. Its IUPAC name is 2-bromo-4-[(E)-[4-(3-bromophenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-bromo-4-[(E)-[4-(3-bromophenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]-6-methoxyphenol
PubChem CID135606211
Molecular FormulaC18H15Br2N3O2S
Molecular Weight497.21 g/mol
Exact Mass494.93
IUPAC Name2-bromo-4-[(E)-[4-(3-bromophenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]-6-methoxyphenol
SMILESC/N=c1\scc(-c2cccc(Br)c2)n1/N=C/c1cc(Br)c(O)c(OC)c1
InChIInChI=1S/C18H15Br2N3O2S/c1-21-18-23(15(10-26-18)12-4-3-5-13(19)8-12)22-9-11-6-14(20)17(24)16(7-11)25-2/h3-10,24H,1-2H3/b21-18-,22-9+
InChIKeyUVVLIWUAELJFLK-NZYSDVMMSA-N
XLogP4.87
TPSA59.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.21
LogP ≤ 54.87
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

2-bromo-6-methoxy-4-[(2-methylimino-4-phenyl-1,3-thiazol-3-yl)iminomethyl]phenol
CID 135760996
2-bromo-6-methoxy-4-[(E)-[4-(4-methoxyphenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]phenol
CID 135691252
2,6-dibromo-4-[[4-(2-methoxyphenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]phenol
CID 135843358
3-[(E)-[4-(3-bromophenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]benzene-1,2-diol
CID 135691194
2-bromo-6-methoxy-4-[[4-(4-methylphenyl)-2-propan-2-ylimino-1,3-thiazol-3-yl]iminomethyl]phenol
CID 135838830
2-bromo-4-[[2-ethylimino-4-(6-methoxynaphthalen-2-yl)-1,3-thiazol-3-yl]iminomethyl]-6-methoxyphenol
CID 135600858
2-bromo-4-[[4-(2-bromophenyl)-2-propan-2-ylimino-1,3-thiazol-3-yl]iminomethyl]-6-methoxyphenol
CID 135556508
2-bromo-4-[[2-(4-fluorophenyl)imino-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-3-yl]iminomethyl]-6-methoxyphenol
CID 135553714
(Z)-4-(3-bromophenyl)-3-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-(3-methoxyphenyl)-1,3-thiazol-2-imine
CID 6056191
2-bromo-4-[(2-cyclohexylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)iminomethyl]-6-methoxyphenol
CID 135666214
2,6-dimethoxy-4-[(4-phenyl-2-prop-2-enylimino-1,3-thiazol-3-yl)iminomethyl]phenol
CID 135839028
4-(3-bromophenyl)-3-[(2-fluorophenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine
CID 2339862

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[(E)-[4-(3-bromophenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]-6-methoxyphenol?
The IUPAC name of 2-bromo-4-[(E)-[4-(3-bromophenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]-6-methoxyphenol (CID 135606211) is 2-bromo-4-[(E)-[4-(3-bromophenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]-6-methoxyphenol.
What is the SMILES notation for 2-bromo-4-[(E)-[4-(3-bromophenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]-6-methoxyphenol?
The canonical SMILES for 2-bromo-4-[(E)-[4-(3-bromophenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]-6-methoxyphenol is C/N=c1\scc(-c2cccc(Br)c2)n1/N=C/c1cc(Br)c(O)c(OC)c1.
What is the InChIKey of 2-bromo-4-[(E)-[4-(3-bromophenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]-6-methoxyphenol?
The InChIKey is UVVLIWUAELJFLK-NZYSDVMMSA-N. The full InChI is InChI=1S/C18H15Br2N3O2S/c1-21-18-23(15(10-26-18)12-4-3-5-13(19)8-12)22-9-11-6-14(20)17(24)16(7-11)25-2/h3-10,24H,1-2H3/b21-18-,22-9+.
What are the key properties of 2-bromo-4-[(E)-[4-(3-bromophenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]-6-methoxyphenol?
2-bromo-4-[(E)-[4-(3-bromophenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]-6-methoxyphenol has a molecular weight of 497.21 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[(E)-[4-(3-bromophenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]-6-methoxyphenol is sourced from PubChem (CID 135606211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).