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

C20H15Cl2N3O2S — CID 142505480

IUPAC(E)-N-[(3,4-dichlorophenyl)methoxy]-1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanimine
SMILESCOc1ccc(-c2nc3sccn3c2/C=N/OCc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C20H15Cl2N3O2S/c1-26-15-5-3-14(4-6-15)19-18(25-8-9-28-20(25)24-19)11-23-27-12-13-2-7-16(21)17(22)10-13/h2-11H,12H2,1H3/b23-11+
InChIKeyVFSYNQQGMHIFPI-FOKLQQMPSA-N
MW432.33 g/mol
LogP5.93
Rot. Bonds6

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

(E)-N-[(3,4-dichlorophenyl)methoxy]-1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanimine (PubChem CID 142505480) has the molecular formula C20H15Cl2N3O2S and a molecular weight of 432.33 g/mol. Its IUPAC name is (E)-N-[(3,4-dichlorophenyl)methoxy]-1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanimine.

Molecular Properties

Compound Name(E)-N-[(3,4-dichlorophenyl)methoxy]-1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanimine
PubChem CID142505480
Molecular FormulaC20H15Cl2N3O2S
Molecular Weight432.33 g/mol
Exact Mass431.03
IUPAC Name(E)-N-[(3,4-dichlorophenyl)methoxy]-1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanimine
SMILESCOc1ccc(-c2nc3sccn3c2/C=N/OCc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C20H15Cl2N3O2S/c1-26-15-5-3-14(4-6-15)19-18(25-8-9-28-20(25)24-19)11-23-27-12-13-2-7-16(21)17(22)10-13/h2-11H,12H2,1H3/b23-11+
InChIKeyVFSYNQQGMHIFPI-FOKLQQMPSA-N
XLogP5.93
TPSA48.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.33
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanimine?
The IUPAC name of (E)-N-[(3,4-dichlorophenyl)methoxy]-1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanimine (CID 142505480) is (E)-N-[(3,4-dichlorophenyl)methoxy]-1-[6-(4-methoxyphenyl)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-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanimine?
The canonical SMILES for (E)-N-[(3,4-dichlorophenyl)methoxy]-1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanimine is COc1ccc(-c2nc3sccn3c2/C=N/OCc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of (E)-N-[(3,4-dichlorophenyl)methoxy]-1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanimine?
The InChIKey is VFSYNQQGMHIFPI-FOKLQQMPSA-N. The full InChI is InChI=1S/C20H15Cl2N3O2S/c1-26-15-5-3-14(4-6-15)19-18(25-8-9-28-20(25)24-19)11-23-27-12-13-2-7-16(21)17(22)10-13/h2-11H,12H2,1H3/b23-11+.
What are the key properties of (E)-N-[(3,4-dichlorophenyl)methoxy]-1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanimine?
(E)-N-[(3,4-dichlorophenyl)methoxy]-1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanimine has a molecular weight of 432.33 g/mol, XLogP of 5.93, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(3,4-dichlorophenyl)methoxy]-1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanimine is sourced from PubChem (CID 142505480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).