2-(3,4-dichlorophenyl)-N-[[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine

C21H19Cl2N3OS — CID 142505369

IUPAC2-(3,4-dichlorophenyl)-N-[[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine
SMILESCOc1ccc(-c2nc3sccn3c2CNCCc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C21H19Cl2N3OS/c1-27-16-5-3-15(4-6-16)20-19(26-10-11-28-21(26)25-20)13-24-9-8-14-2-7-17(22)18(23)12-14/h2-7,10-12,24H,8-9,13H2,1H3
InChIKeyAMDXEVFRALNSNL-UHFFFAOYSA-N
MW432.38 g/mol
LogP5.71
Rot. Bonds7

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

2-(3,4-dichlorophenyl)-N-[[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine (PubChem CID 142505369) has the molecular formula C21H19Cl2N3OS and a molecular weight of 432.38 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-[[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-[[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine
PubChem CID142505369
Molecular FormulaC21H19Cl2N3OS
Molecular Weight432.38 g/mol
Exact Mass431.06
IUPAC Name2-(3,4-dichlorophenyl)-N-[[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine
SMILESCOc1ccc(-c2nc3sccn3c2CNCCc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C21H19Cl2N3OS/c1-27-16-5-3-15(4-6-16)20-19(26-10-11-28-21(26)25-20)13-24-9-8-14-2-7-17(22)18(23)12-14/h2-7,10-12,24H,8-9,13H2,1H3
InChIKeyAMDXEVFRALNSNL-UHFFFAOYSA-N
XLogP5.71
TPSA38.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.38
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 2-(3,4-dichlorophenyl)-N-[[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-[[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine (CID 142505369) is 2-(3,4-dichlorophenyl)-N-[[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-[[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-[[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine is COc1ccc(-c2nc3sccn3c2CNCCc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-[[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine?
The InChIKey is AMDXEVFRALNSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2N3OS/c1-27-16-5-3-15(4-6-16)20-19(26-10-11-28-21(26)25-20)13-24-9-8-14-2-7-17(22)18(23)12-14/h2-7,10-12,24H,8-9,13H2,1H3.
What are the key properties of 2-(3,4-dichlorophenyl)-N-[[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine?
2-(3,4-dichlorophenyl)-N-[[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine has a molecular weight of 432.38 g/mol, XLogP of 5.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-[[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 142505369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).