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

C20H16BrCl2N3S — CID 142505498

IUPAC2-(3-bromo-4-chlorophenyl)-N-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine
SMILESClc1ccc(-c2nc3sccn3c2CNCCc2ccc(Cl)c(Br)c2)cc1
InChIInChI=1S/C20H16BrCl2N3S/c21-16-11-13(1-6-17(16)23)7-8-24-12-18-19(14-2-4-15(22)5-3-14)25-20-26(18)9-10-27-20/h1-6,9-11,24H,7-8,12H2
InChIKeyFSPPPGQTOQCMOA-UHFFFAOYSA-N
MW481.25 g/mol
LogP6.46
Rot. Bonds6

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

2-(3-bromo-4-chlorophenyl)-N-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine (PubChem CID 142505498) has the molecular formula C20H16BrCl2N3S and a molecular weight of 481.25 g/mol. Its IUPAC name is 2-(3-bromo-4-chlorophenyl)-N-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-(3-bromo-4-chlorophenyl)-N-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine
PubChem CID142505498
Molecular FormulaC20H16BrCl2N3S
Molecular Weight481.25 g/mol
Exact Mass478.96
IUPAC Name2-(3-bromo-4-chlorophenyl)-N-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine
SMILESClc1ccc(-c2nc3sccn3c2CNCCc2ccc(Cl)c(Br)c2)cc1
InChIInChI=1S/C20H16BrCl2N3S/c21-16-11-13(1-6-17(16)23)7-8-24-12-18-19(14-2-4-15(22)5-3-14)25-20-26(18)9-10-27-20/h1-6,9-11,24H,7-8,12H2
InChIKeyFSPPPGQTOQCMOA-UHFFFAOYSA-N
XLogP6.46
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.25
LogP ≤ 56.46
H-Bond Donors ≤ 51
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 2-(3-bromo-4-chlorophenyl)-N-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine?
The IUPAC name of 2-(3-bromo-4-chlorophenyl)-N-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine (CID 142505498) is 2-(3-bromo-4-chlorophenyl)-N-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for 2-(3-bromo-4-chlorophenyl)-N-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for 2-(3-bromo-4-chlorophenyl)-N-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine is Clc1ccc(-c2nc3sccn3c2CNCCc2ccc(Cl)c(Br)c2)cc1.
What is the InChIKey of 2-(3-bromo-4-chlorophenyl)-N-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine?
The InChIKey is FSPPPGQTOQCMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrCl2N3S/c21-16-11-13(1-6-17(16)23)7-8-24-12-18-19(14-2-4-15(22)5-3-14)25-20-26(18)9-10-27-20/h1-6,9-11,24H,7-8,12H2.
What are the key properties of 2-(3-bromo-4-chlorophenyl)-N-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine?
2-(3-bromo-4-chlorophenyl)-N-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine has a molecular weight of 481.25 g/mol, XLogP of 6.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-chlorophenyl)-N-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 142505498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).