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

C21H18Cl3N3S — CID 142505488

IUPACN-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-(3,4-dichlorophenyl)-N-methylethanamine
SMILESCN(CCc1ccc(Cl)c(Cl)c1)Cc1c(-c2ccc(Cl)cc2)nc2sccn12
InChIInChI=1S/C21H18Cl3N3S/c1-26(9-8-14-2-7-17(23)18(24)12-14)13-19-20(15-3-5-16(22)6-4-15)25-21-27(19)10-11-28-21/h2-7,10-12H,8-9,13H2,1H3
InChIKeyPMCXCSHAJBEXRB-UHFFFAOYSA-N
MW450.82 g/mol
LogP6.70
Rot. Bonds6

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

N-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-(3,4-dichlorophenyl)-N-methylethanamine (PubChem CID 142505488) has the molecular formula C21H18Cl3N3S and a molecular weight of 450.82 g/mol. Its IUPAC name is N-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-(3,4-dichlorophenyl)-N-methylethanamine.

Molecular Properties

Compound NameN-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-(3,4-dichlorophenyl)-N-methylethanamine
PubChem CID142505488
Molecular FormulaC21H18Cl3N3S
Molecular Weight450.82 g/mol
Exact Mass449.03
IUPAC NameN-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-(3,4-dichlorophenyl)-N-methylethanamine
SMILESCN(CCc1ccc(Cl)c(Cl)c1)Cc1c(-c2ccc(Cl)cc2)nc2sccn12
InChIInChI=1S/C21H18Cl3N3S/c1-26(9-8-14-2-7-17(23)18(24)12-14)13-19-20(15-3-5-16(22)6-4-15)25-21-27(19)10-11-28-21/h2-7,10-12H,8-9,13H2,1H3
InChIKeyPMCXCSHAJBEXRB-UHFFFAOYSA-N
XLogP6.70
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.82
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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-(3,4-dichlorophenyl)-N-methylethanamine?
The IUPAC name of N-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-(3,4-dichlorophenyl)-N-methylethanamine (CID 142505488) is N-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-(3,4-dichlorophenyl)-N-methylethanamine.
What is the SMILES notation for N-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-(3,4-dichlorophenyl)-N-methylethanamine?
The canonical SMILES for N-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-(3,4-dichlorophenyl)-N-methylethanamine is CN(CCc1ccc(Cl)c(Cl)c1)Cc1c(-c2ccc(Cl)cc2)nc2sccn12.
What is the InChIKey of N-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-(3,4-dichlorophenyl)-N-methylethanamine?
The InChIKey is PMCXCSHAJBEXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl3N3S/c1-26(9-8-14-2-7-17(23)18(24)12-14)13-19-20(15-3-5-16(22)6-4-15)25-21-27(19)10-11-28-21/h2-7,10-12H,8-9,13H2,1H3.
What are the key properties of N-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-(3,4-dichlorophenyl)-N-methylethanamine?
N-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-(3,4-dichlorophenyl)-N-methylethanamine has a molecular weight of 450.82 g/mol, XLogP of 6.70, 6 rotatable bonds, 0 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-(3,4-dichlorophenyl)-N-methylethanamine is sourced from PubChem (CID 142505488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).