(E)-1-[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-[(3,4-dichlorophenyl)methoxy]methanimine

C19H12BrCl2N3OS — CID 142505355

IUPAC(E)-1-[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-[(3,4-dichlorophenyl)methoxy]methanimine
SMILESClc1ccc(CO/N=C/c2c(-c3ccc(Br)cc3)nc3sccn23)cc1Cl
InChIInChI=1S/C19H12BrCl2N3OS/c20-14-4-2-13(3-5-14)18-17(25-7-8-27-19(25)24-18)10-23-26-11-12-1-6-15(21)16(22)9-12/h1-10H,11H2/b23-10+
InChIKeyAERQHGOFHYGQHP-AUEPDCJTSA-N
MW481.20 g/mol
LogP6.68
Rot. Bonds5

About (E)-1-[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-[(3,4-dichlorophenyl)methoxy]methanimine

(E)-1-[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-[(3,4-dichlorophenyl)methoxy]methanimine (PubChem CID 142505355) has the molecular formula C19H12BrCl2N3OS and a molecular weight of 481.20 g/mol. Its IUPAC name is (E)-1-[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-[(3,4-dichlorophenyl)methoxy]methanimine.

Molecular Properties

Compound Name(E)-1-[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-[(3,4-dichlorophenyl)methoxy]methanimine
PubChem CID142505355
Molecular FormulaC19H12BrCl2N3OS
Molecular Weight481.20 g/mol
Exact Mass478.93
IUPAC Name(E)-1-[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-[(3,4-dichlorophenyl)methoxy]methanimine
SMILESClc1ccc(CO/N=C/c2c(-c3ccc(Br)cc3)nc3sccn23)cc1Cl
InChIInChI=1S/C19H12BrCl2N3OS/c20-14-4-2-13(3-5-14)18-17(25-7-8-27-19(25)24-18)10-23-26-11-12-1-6-15(21)16(22)9-12/h1-10H,11H2/b23-10+
InChIKeyAERQHGOFHYGQHP-AUEPDCJTSA-N
XLogP6.68
TPSA38.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.20
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-[(3,4-dichlorophenyl)methoxy]methanimine?
The IUPAC name of (E)-1-[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-[(3,4-dichlorophenyl)methoxy]methanimine (CID 142505355) is (E)-1-[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-[(3,4-dichlorophenyl)methoxy]methanimine.
What is the SMILES notation for (E)-1-[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-[(3,4-dichlorophenyl)methoxy]methanimine?
The canonical SMILES for (E)-1-[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-[(3,4-dichlorophenyl)methoxy]methanimine is Clc1ccc(CO/N=C/c2c(-c3ccc(Br)cc3)nc3sccn23)cc1Cl.
What is the InChIKey of (E)-1-[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-[(3,4-dichlorophenyl)methoxy]methanimine?
The InChIKey is AERQHGOFHYGQHP-AUEPDCJTSA-N. The full InChI is InChI=1S/C19H12BrCl2N3OS/c20-14-4-2-13(3-5-14)18-17(25-7-8-27-19(25)24-18)10-23-26-11-12-1-6-15(21)16(22)9-12/h1-10H,11H2/b23-10+.
What are the key properties of (E)-1-[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-[(3,4-dichlorophenyl)methoxy]methanimine?
(E)-1-[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-[(3,4-dichlorophenyl)methoxy]methanimine has a molecular weight of 481.20 g/mol, XLogP of 6.68, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-[(3,4-dichlorophenyl)methoxy]methanimine is sourced from PubChem (CID 142505355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).