2-bromo-6-methoxy-4-[(E)-(4-methyl-2-methylimino-1,3-thiazol-3-yl)iminomethyl]phenol

C13H14BrN3O2S — CID 135519890

IUPAC2-bromo-6-methoxy-4-[(E)-(4-methyl-2-methylimino-1,3-thiazol-3-yl)iminomethyl]phenol
SMILESC/N=c1\scc(C)n1/N=C/c1cc(Br)c(O)c(OC)c1
InChIInChI=1S/C13H14BrN3O2S/c1-8-7-20-13(15-2)17(8)16-6-9-4-10(14)12(18)11(5-9)19-3/h4-7,18H,1-3H3/b15-13-,16-6+
InChIKeyJZBMWLRRXDPFPX-CJUSSXLKSA-N
MW356.25 g/mol
LogP2.75
Rot. Bonds3

About 2-bromo-6-methoxy-4-[(E)-(4-methyl-2-methylimino-1,3-thiazol-3-yl)iminomethyl]phenol

2-bromo-6-methoxy-4-[(E)-(4-methyl-2-methylimino-1,3-thiazol-3-yl)iminomethyl]phenol (PubChem CID 135519890) has the molecular formula C13H14BrN3O2S and a molecular weight of 356.25 g/mol. Its IUPAC name is 2-bromo-6-methoxy-4-[(E)-(4-methyl-2-methylimino-1,3-thiazol-3-yl)iminomethyl]phenol.

Molecular Properties

Compound Name2-bromo-6-methoxy-4-[(E)-(4-methyl-2-methylimino-1,3-thiazol-3-yl)iminomethyl]phenol
PubChem CID135519890
Molecular FormulaC13H14BrN3O2S
Molecular Weight356.25 g/mol
Exact Mass355.00
IUPAC Name2-bromo-6-methoxy-4-[(E)-(4-methyl-2-methylimino-1,3-thiazol-3-yl)iminomethyl]phenol
SMILESC/N=c1\scc(C)n1/N=C/c1cc(Br)c(O)c(OC)c1
InChIInChI=1S/C13H14BrN3O2S/c1-8-7-20-13(15-2)17(8)16-6-9-4-10(14)12(18)11(5-9)19-3/h4-7,18H,1-3H3/b15-13-,16-6+
InChIKeyJZBMWLRRXDPFPX-CJUSSXLKSA-N
XLogP2.75
TPSA59.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.25
LogP ≤ 52.75
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'}

Analyze 2-bromo-6-methoxy-4-[(E)-(4-methyl-2-methylimino-1,3-thiazol-3-yl)iminomethyl]phenol 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 2-bromo-6-methoxy-4-[(E)-(4-methyl-2-methylimino-1,3-thiazol-3-yl)iminomethyl]phenol?
The IUPAC name of 2-bromo-6-methoxy-4-[(E)-(4-methyl-2-methylimino-1,3-thiazol-3-yl)iminomethyl]phenol (CID 135519890) is 2-bromo-6-methoxy-4-[(E)-(4-methyl-2-methylimino-1,3-thiazol-3-yl)iminomethyl]phenol.
What is the SMILES notation for 2-bromo-6-methoxy-4-[(E)-(4-methyl-2-methylimino-1,3-thiazol-3-yl)iminomethyl]phenol?
The canonical SMILES for 2-bromo-6-methoxy-4-[(E)-(4-methyl-2-methylimino-1,3-thiazol-3-yl)iminomethyl]phenol is C/N=c1\scc(C)n1/N=C/c1cc(Br)c(O)c(OC)c1.
What is the InChIKey of 2-bromo-6-methoxy-4-[(E)-(4-methyl-2-methylimino-1,3-thiazol-3-yl)iminomethyl]phenol?
The InChIKey is JZBMWLRRXDPFPX-CJUSSXLKSA-N. The full InChI is InChI=1S/C13H14BrN3O2S/c1-8-7-20-13(15-2)17(8)16-6-9-4-10(14)12(18)11(5-9)19-3/h4-7,18H,1-3H3/b15-13-,16-6+.
What are the key properties of 2-bromo-6-methoxy-4-[(E)-(4-methyl-2-methylimino-1,3-thiazol-3-yl)iminomethyl]phenol?
2-bromo-6-methoxy-4-[(E)-(4-methyl-2-methylimino-1,3-thiazol-3-yl)iminomethyl]phenol has a molecular weight of 356.25 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-methoxy-4-[(E)-(4-methyl-2-methylimino-1,3-thiazol-3-yl)iminomethyl]phenol is sourced from PubChem (CID 135519890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).