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

C19H12Cl2FN3OS — CID 142505361

IUPAC(E)-N-[(3,4-dichlorophenyl)methoxy]-1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanimine
SMILESFc1ccc(-c2nc3sccn3c2/C=N/OCc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C19H12Cl2FN3OS/c20-15-6-1-12(9-16(15)21)11-26-23-10-17-18(13-2-4-14(22)5-3-13)24-19-25(17)7-8-27-19/h1-10H,11H2/b23-10+
InChIKeyQLNJBWXLHOCOFI-AUEPDCJTSA-N
MW420.30 g/mol
LogP6.06
Rot. Bonds5

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

(E)-N-[(3,4-dichlorophenyl)methoxy]-1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanimine (PubChem CID 142505361) has the molecular formula C19H12Cl2FN3OS and a molecular weight of 420.30 g/mol. Its IUPAC name is (E)-N-[(3,4-dichlorophenyl)methoxy]-1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanimine.

Molecular Properties

Compound Name(E)-N-[(3,4-dichlorophenyl)methoxy]-1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanimine
PubChem CID142505361
Molecular FormulaC19H12Cl2FN3OS
Molecular Weight420.30 g/mol
Exact Mass419.01
IUPAC Name(E)-N-[(3,4-dichlorophenyl)methoxy]-1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanimine
SMILESFc1ccc(-c2nc3sccn3c2/C=N/OCc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C19H12Cl2FN3OS/c20-15-6-1-12(9-16(15)21)11-26-23-10-17-18(13-2-4-14(22)5-3-13)24-19-25(17)7-8-27-19/h1-10H,11H2/b23-10+
InChIKeyQLNJBWXLHOCOFI-AUEPDCJTSA-N
XLogP6.06
TPSA38.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.30
LogP ≤ 56.06
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)-N-[(3,4-dichlorophenyl)methoxy]-1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanimine?
The IUPAC name of (E)-N-[(3,4-dichlorophenyl)methoxy]-1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanimine (CID 142505361) is (E)-N-[(3,4-dichlorophenyl)methoxy]-1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanimine.
What is the SMILES notation for (E)-N-[(3,4-dichlorophenyl)methoxy]-1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanimine?
The canonical SMILES for (E)-N-[(3,4-dichlorophenyl)methoxy]-1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanimine is Fc1ccc(-c2nc3sccn3c2/C=N/OCc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of (E)-N-[(3,4-dichlorophenyl)methoxy]-1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanimine?
The InChIKey is QLNJBWXLHOCOFI-AUEPDCJTSA-N. The full InChI is InChI=1S/C19H12Cl2FN3OS/c20-15-6-1-12(9-16(15)21)11-26-23-10-17-18(13-2-4-14(22)5-3-13)24-19-25(17)7-8-27-19/h1-10H,11H2/b23-10+.
What are the key properties of (E)-N-[(3,4-dichlorophenyl)methoxy]-1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanimine?
(E)-N-[(3,4-dichlorophenyl)methoxy]-1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanimine has a molecular weight of 420.30 g/mol, XLogP of 6.06, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(3,4-dichlorophenyl)methoxy]-1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanimine is sourced from PubChem (CID 142505361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).