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

C21H19Cl2N3S — CID 142505442

IUPAC2-(3,4-dichlorophenyl)-N-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine
SMILESCc1ccc(-c2nc3sccn3c2CNCCc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C21H19Cl2N3S/c1-14-2-5-16(6-3-14)20-19(26-10-11-27-21(26)25-20)13-24-9-8-15-4-7-17(22)18(23)12-15/h2-7,10-12,24H,8-9,13H2,1H3
InChIKeyLFTLJKWKJWXAPZ-UHFFFAOYSA-N
MW416.38 g/mol
LogP6.01
Rot. Bonds6

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

2-(3,4-dichlorophenyl)-N-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine (PubChem CID 142505442) has the molecular formula C21H19Cl2N3S and a molecular weight of 416.38 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine
PubChem CID142505442
Molecular FormulaC21H19Cl2N3S
Molecular Weight416.38 g/mol
Exact Mass415.07
IUPAC Name2-(3,4-dichlorophenyl)-N-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine
SMILESCc1ccc(-c2nc3sccn3c2CNCCc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C21H19Cl2N3S/c1-14-2-5-16(6-3-14)20-19(26-10-11-27-21(26)25-20)13-24-9-8-15-4-7-17(22)18(23)12-15/h2-7,10-12,24H,8-9,13H2,1H3
InChIKeyLFTLJKWKJWXAPZ-UHFFFAOYSA-N
XLogP6.01
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.38
LogP ≤ 56.01
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-(3,4-dichlorophenyl)-N-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine (CID 142505442) is 2-(3,4-dichlorophenyl)-N-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine is Cc1ccc(-c2nc3sccn3c2CNCCc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine?
The InChIKey is LFTLJKWKJWXAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2N3S/c1-14-2-5-16(6-3-14)20-19(26-10-11-27-21(26)25-20)13-24-9-8-15-4-7-17(22)18(23)12-15/h2-7,10-12,24H,8-9,13H2,1H3.
What are the key properties of 2-(3,4-dichlorophenyl)-N-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine?
2-(3,4-dichlorophenyl)-N-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine has a molecular weight of 416.38 g/mol, XLogP of 6.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 142505442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).