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

C20H15Cl2N3OS — CID 142505366

IUPAC(E)-N-[(3,4-dichlorophenyl)methoxy]-1-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanimine
SMILESCc1ccc(-c2nc3sccn3c2/C=N/OCc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C20H15Cl2N3OS/c1-13-2-5-15(6-3-13)19-18(25-8-9-27-20(25)24-19)11-23-26-12-14-4-7-16(21)17(22)10-14/h2-11H,12H2,1H3/b23-11+
InChIKeyDQRUVQUAXGZPRL-FOKLQQMPSA-N
MW416.33 g/mol
LogP6.23
Rot. Bonds5

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

(E)-N-[(3,4-dichlorophenyl)methoxy]-1-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanimine (PubChem CID 142505366) has the molecular formula C20H15Cl2N3OS and a molecular weight of 416.33 g/mol. Its IUPAC name is (E)-N-[(3,4-dichlorophenyl)methoxy]-1-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanimine.

Molecular Properties

Compound Name(E)-N-[(3,4-dichlorophenyl)methoxy]-1-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanimine
PubChem CID142505366
Molecular FormulaC20H15Cl2N3OS
Molecular Weight416.33 g/mol
Exact Mass415.03
IUPAC Name(E)-N-[(3,4-dichlorophenyl)methoxy]-1-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanimine
SMILESCc1ccc(-c2nc3sccn3c2/C=N/OCc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C20H15Cl2N3OS/c1-13-2-5-15(6-3-13)19-18(25-8-9-27-20(25)24-19)11-23-26-12-14-4-7-16(21)17(22)10-14/h2-11H,12H2,1H3/b23-11+
InChIKeyDQRUVQUAXGZPRL-FOKLQQMPSA-N
XLogP6.23
TPSA38.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.33
LogP ≤ 56.23
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-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanimine?
The IUPAC name of (E)-N-[(3,4-dichlorophenyl)methoxy]-1-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanimine (CID 142505366) is (E)-N-[(3,4-dichlorophenyl)methoxy]-1-[6-(4-methylphenyl)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-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanimine?
The canonical SMILES for (E)-N-[(3,4-dichlorophenyl)methoxy]-1-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanimine is Cc1ccc(-c2nc3sccn3c2/C=N/OCc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of (E)-N-[(3,4-dichlorophenyl)methoxy]-1-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanimine?
The InChIKey is DQRUVQUAXGZPRL-FOKLQQMPSA-N. The full InChI is InChI=1S/C20H15Cl2N3OS/c1-13-2-5-15(6-3-13)19-18(25-8-9-27-20(25)24-19)11-23-26-12-14-4-7-16(21)17(22)10-14/h2-11H,12H2,1H3/b23-11+.
What are the key properties of (E)-N-[(3,4-dichlorophenyl)methoxy]-1-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanimine?
(E)-N-[(3,4-dichlorophenyl)methoxy]-1-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanimine has a molecular weight of 416.33 g/mol, XLogP of 6.23, 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-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanimine is sourced from PubChem (CID 142505366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).