1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-[2-(3,4-dichlorophenyl)ethyl]methanimine

C20H14Cl3N3S — CID 142505467

IUPAC1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-[2-(3,4-dichlorophenyl)ethyl]methanimine
SMILESClc1ccc(-c2nc3sccn3c2/C=N/CCc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C20H14Cl3N3S/c21-15-4-2-14(3-5-15)19-18(26-9-10-27-20(26)25-19)12-24-8-7-13-1-6-16(22)17(23)11-13/h1-6,9-12H,7-8H2/b24-12+
InChIKeySKAFAZCCABIHMK-WYMPLXKRSA-N
MW434.78 g/mol
LogP6.68
Rot. Bonds5

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

1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-[2-(3,4-dichlorophenyl)ethyl]methanimine (PubChem CID 142505467) has the molecular formula C20H14Cl3N3S and a molecular weight of 434.78 g/mol. Its IUPAC name is 1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-[2-(3,4-dichlorophenyl)ethyl]methanimine.

Molecular Properties

Compound Name1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-[2-(3,4-dichlorophenyl)ethyl]methanimine
PubChem CID142505467
Molecular FormulaC20H14Cl3N3S
Molecular Weight434.78 g/mol
Exact Mass433.00
IUPAC Name1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-[2-(3,4-dichlorophenyl)ethyl]methanimine
SMILESClc1ccc(-c2nc3sccn3c2/C=N/CCc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C20H14Cl3N3S/c21-15-4-2-14(3-5-15)19-18(26-9-10-27-20(26)25-19)12-24-8-7-13-1-6-16(22)17(23)11-13/h1-6,9-12H,7-8H2/b24-12+
InChIKeySKAFAZCCABIHMK-WYMPLXKRSA-N
XLogP6.68
TPSA29.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.78
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-[2-(3,4-dichlorophenyl)ethyl]methanimine?
The IUPAC name of 1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-[2-(3,4-dichlorophenyl)ethyl]methanimine (CID 142505467) is 1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-[2-(3,4-dichlorophenyl)ethyl]methanimine.
What is the SMILES notation for 1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-[2-(3,4-dichlorophenyl)ethyl]methanimine?
The canonical SMILES for 1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-[2-(3,4-dichlorophenyl)ethyl]methanimine is Clc1ccc(-c2nc3sccn3c2/C=N/CCc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-[2-(3,4-dichlorophenyl)ethyl]methanimine?
The InChIKey is SKAFAZCCABIHMK-WYMPLXKRSA-N. The full InChI is InChI=1S/C20H14Cl3N3S/c21-15-4-2-14(3-5-15)19-18(26-9-10-27-20(26)25-19)12-24-8-7-13-1-6-16(22)17(23)11-13/h1-6,9-12H,7-8H2/b24-12+.
What are the key properties of 1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-[2-(3,4-dichlorophenyl)ethyl]methanimine?
1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-[2-(3,4-dichlorophenyl)ethyl]methanimine has a molecular weight of 434.78 g/mol, XLogP of 6.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-[2-(3,4-dichlorophenyl)ethyl]methanimine is sourced from PubChem (CID 142505467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).