6-(4-chlorophenyl)-5-[2-(3,4-dichlorophenyl)ethoxymethyl]imidazo[2,1-b][1,3]thiazole

C20H15Cl3N2OS — CID 142505454

IUPAC6-(4-chlorophenyl)-5-[2-(3,4-dichlorophenyl)ethoxymethyl]imidazo[2,1-b][1,3]thiazole
SMILESClc1ccc(-c2nc3sccn3c2COCCc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C20H15Cl3N2OS/c21-15-4-2-14(3-5-15)19-18(25-8-10-27-20(25)24-19)12-26-9-7-13-1-6-16(22)17(23)11-13/h1-6,8,10-11H,7,9,12H2
InChIKeyGSUDPDTUFUNPQG-UHFFFAOYSA-N
MW437.78 g/mol
LogP6.78
Rot. Bonds6

About 6-(4-chlorophenyl)-5-[2-(3,4-dichlorophenyl)ethoxymethyl]imidazo[2,1-b][1,3]thiazole

6-(4-chlorophenyl)-5-[2-(3,4-dichlorophenyl)ethoxymethyl]imidazo[2,1-b][1,3]thiazole (PubChem CID 142505454) has the molecular formula C20H15Cl3N2OS and a molecular weight of 437.78 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-5-[2-(3,4-dichlorophenyl)ethoxymethyl]imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-(4-chlorophenyl)-5-[2-(3,4-dichlorophenyl)ethoxymethyl]imidazo[2,1-b][1,3]thiazole
PubChem CID142505454
Molecular FormulaC20H15Cl3N2OS
Molecular Weight437.78 g/mol
Exact Mass436.00
IUPAC Name6-(4-chlorophenyl)-5-[2-(3,4-dichlorophenyl)ethoxymethyl]imidazo[2,1-b][1,3]thiazole
SMILESClc1ccc(-c2nc3sccn3c2COCCc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C20H15Cl3N2OS/c21-15-4-2-14(3-5-15)19-18(25-8-10-27-20(25)24-19)12-26-9-7-13-1-6-16(22)17(23)11-13/h1-6,8,10-11H,7,9,12H2
InChIKeyGSUDPDTUFUNPQG-UHFFFAOYSA-N
XLogP6.78
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.78
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-5-[2-(3,4-dichlorophenyl)ethoxymethyl]imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-(4-chlorophenyl)-5-[2-(3,4-dichlorophenyl)ethoxymethyl]imidazo[2,1-b][1,3]thiazole (CID 142505454) is 6-(4-chlorophenyl)-5-[2-(3,4-dichlorophenyl)ethoxymethyl]imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-(4-chlorophenyl)-5-[2-(3,4-dichlorophenyl)ethoxymethyl]imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-(4-chlorophenyl)-5-[2-(3,4-dichlorophenyl)ethoxymethyl]imidazo[2,1-b][1,3]thiazole is Clc1ccc(-c2nc3sccn3c2COCCc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 6-(4-chlorophenyl)-5-[2-(3,4-dichlorophenyl)ethoxymethyl]imidazo[2,1-b][1,3]thiazole?
The InChIKey is GSUDPDTUFUNPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl3N2OS/c21-15-4-2-14(3-5-15)19-18(25-8-10-27-20(25)24-19)12-26-9-7-13-1-6-16(22)17(23)11-13/h1-6,8,10-11H,7,9,12H2.
What are the key properties of 6-(4-chlorophenyl)-5-[2-(3,4-dichlorophenyl)ethoxymethyl]imidazo[2,1-b][1,3]thiazole?
6-(4-chlorophenyl)-5-[2-(3,4-dichlorophenyl)ethoxymethyl]imidazo[2,1-b][1,3]thiazole has a molecular weight of 437.78 g/mol, XLogP of 6.78, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-5-[2-(3,4-dichlorophenyl)ethoxymethyl]imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 142505454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).