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

C24H19Cl2N3S — CID 142505446

IUPAC2-(3,4-dichlorophenyl)-N-[(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
SMILESClc1ccc(CCNCc2c(-c3ccc4ccccc4c3)nc3sccn23)cc1Cl
InChIInChI=1S/C24H19Cl2N3S/c25-20-8-5-16(13-21(20)26)9-10-27-15-22-23(28-24-29(22)11-12-30-24)19-7-6-17-3-1-2-4-18(17)14-19/h1-8,11-14,27H,9-10,15H2
InChIKeyYARMEHIKFIZSJA-UHFFFAOYSA-N
MW452.41 g/mol
LogP6.86
Rot. Bonds6

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

2-(3,4-dichlorophenyl)-N-[(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine (PubChem CID 142505446) has the molecular formula C24H19Cl2N3S and a molecular weight of 452.41 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-[(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-[(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
PubChem CID142505446
Molecular FormulaC24H19Cl2N3S
Molecular Weight452.41 g/mol
Exact Mass451.07
IUPAC Name2-(3,4-dichlorophenyl)-N-[(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
SMILESClc1ccc(CCNCc2c(-c3ccc4ccccc4c3)nc3sccn23)cc1Cl
InChIInChI=1S/C24H19Cl2N3S/c25-20-8-5-16(13-21(20)26)9-10-27-15-22-23(28-24-29(22)11-12-30-24)19-7-6-17-3-1-2-4-18(17)14-19/h1-8,11-14,27H,9-10,15H2
InChIKeyYARMEHIKFIZSJA-UHFFFAOYSA-N
XLogP6.86
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.41
LogP ≤ 56.86
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-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-[(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine (CID 142505446) is 2-(3,4-dichlorophenyl)-N-[(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-[(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-[(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine is Clc1ccc(CCNCc2c(-c3ccc4ccccc4c3)nc3sccn23)cc1Cl.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-[(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine?
The InChIKey is YARMEHIKFIZSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl2N3S/c25-20-8-5-16(13-21(20)26)9-10-27-15-22-23(28-24-29(22)11-12-30-24)19-7-6-17-3-1-2-4-18(17)14-19/h1-8,11-14,27H,9-10,15H2.
What are the key properties of 2-(3,4-dichlorophenyl)-N-[(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine?
2-(3,4-dichlorophenyl)-N-[(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine has a molecular weight of 452.41 g/mol, XLogP of 6.86, 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-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 142505446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).