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

C22H19ClN4S — CID 142505433

IUPACN-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-(1H-indol-3-yl)ethanamine
SMILESClc1ccc(-c2nc3sccn3c2CNCCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C22H19ClN4S/c23-17-7-5-15(6-8-17)21-20(27-11-12-28-22(27)26-21)14-24-10-9-16-13-25-19-4-2-1-3-18(16)19/h1-8,11-13,24-25H,9-10,14H2
InChIKeyLSIICHRDIJMBGF-UHFFFAOYSA-N
MW406.94 g/mol
LogP5.53
Rot. Bonds6

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

N-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-(1H-indol-3-yl)ethanamine (PubChem CID 142505433) has the molecular formula C22H19ClN4S and a molecular weight of 406.94 g/mol. Its IUPAC name is N-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-(1H-indol-3-yl)ethanamine.

Molecular Properties

Compound NameN-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-(1H-indol-3-yl)ethanamine
PubChem CID142505433
Molecular FormulaC22H19ClN4S
Molecular Weight406.94 g/mol
Exact Mass406.10
IUPAC NameN-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-(1H-indol-3-yl)ethanamine
SMILESClc1ccc(-c2nc3sccn3c2CNCCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C22H19ClN4S/c23-17-7-5-15(6-8-17)21-20(27-11-12-28-22(27)26-21)14-24-10-9-16-13-25-19-4-2-1-3-18(16)19/h1-8,11-13,24-25H,9-10,14H2
InChIKeyLSIICHRDIJMBGF-UHFFFAOYSA-N
XLogP5.53
TPSA45.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.94
LogP ≤ 55.53
H-Bond Donors ≤ 52
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 N-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-(1H-indol-3-yl)ethanamine?
The IUPAC name of N-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-(1H-indol-3-yl)ethanamine (CID 142505433) is N-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-(1H-indol-3-yl)ethanamine.
What is the SMILES notation for N-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-(1H-indol-3-yl)ethanamine?
The canonical SMILES for N-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-(1H-indol-3-yl)ethanamine is Clc1ccc(-c2nc3sccn3c2CNCCc2c[nH]c3ccccc23)cc1.
What is the InChIKey of N-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-(1H-indol-3-yl)ethanamine?
The InChIKey is LSIICHRDIJMBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4S/c23-17-7-5-15(6-8-17)21-20(27-11-12-28-22(27)26-21)14-24-10-9-16-13-25-19-4-2-1-3-18(16)19/h1-8,11-13,24-25H,9-10,14H2.
What are the key properties of N-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-(1H-indol-3-yl)ethanamine?
N-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-(1H-indol-3-yl)ethanamine has a molecular weight of 406.94 g/mol, XLogP of 5.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-(1H-indol-3-yl)ethanamine is sourced from PubChem (CID 142505433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).