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

C20H18ClN3S — CID 142505357

IUPACN-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-phenylethanamine
SMILESClc1ccc(-c2nc3sccn3c2CNCCc2ccccc2)cc1
InChIInChI=1S/C20H18ClN3S/c21-17-8-6-16(7-9-17)19-18(24-12-13-25-20(24)23-19)14-22-11-10-15-4-2-1-3-5-15/h1-9,12-13,22H,10-11,14H2
InChIKeyMEWTWFSWGQWHGN-UHFFFAOYSA-N
MW367.91 g/mol
LogP5.05
Rot. Bonds6

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

N-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-phenylethanamine (PubChem CID 142505357) has the molecular formula C20H18ClN3S and a molecular weight of 367.91 g/mol. Its IUPAC name is N-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-phenylethanamine.

Molecular Properties

Compound NameN-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-phenylethanamine
PubChem CID142505357
Molecular FormulaC20H18ClN3S
Molecular Weight367.91 g/mol
Exact Mass367.09
IUPAC NameN-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-phenylethanamine
SMILESClc1ccc(-c2nc3sccn3c2CNCCc2ccccc2)cc1
InChIInChI=1S/C20H18ClN3S/c21-17-8-6-16(7-9-17)19-18(24-12-13-25-20(24)23-19)14-22-11-10-15-4-2-1-3-5-15/h1-9,12-13,22H,10-11,14H2
InChIKeyMEWTWFSWGQWHGN-UHFFFAOYSA-N
XLogP5.05
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.91
LogP ≤ 55.05
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 N-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-phenylethanamine?
The IUPAC name of N-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-phenylethanamine (CID 142505357) is N-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-phenylethanamine.
What is the SMILES notation for N-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-phenylethanamine?
The canonical SMILES for N-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-phenylethanamine is Clc1ccc(-c2nc3sccn3c2CNCCc2ccccc2)cc1.
What is the InChIKey of N-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-phenylethanamine?
The InChIKey is MEWTWFSWGQWHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3S/c21-17-8-6-16(7-9-17)19-18(24-12-13-25-20(24)23-19)14-22-11-10-15-4-2-1-3-5-15/h1-9,12-13,22H,10-11,14H2.
What are the key properties of N-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-phenylethanamine?
N-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-phenylethanamine has a molecular weight of 367.91 g/mol, XLogP of 5.05, 6 rotatable bonds, 1 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-phenylethanamine is sourced from PubChem (CID 142505357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).