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

C20H11Cl3N4OS — CID 155254974

IUPAC5-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazole
SMILESClc1ccc(-c2nc3sccn3c2-c2nc(Cc3ccc(Cl)c(Cl)c3)no2)cc1
InChIInChI=1S/C20H11Cl3N4OS/c21-13-4-2-12(3-5-13)17-18(27-7-8-29-20(27)25-17)19-24-16(26-28-19)10-11-1-6-14(22)15(23)9-11/h1-9H,10H2
InChIKeyDKOIMMDMDGJHMP-UHFFFAOYSA-N
MW461.76 g/mol
LogP6.66
Rot. Bonds4

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

5-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazole (PubChem CID 155254974) has the molecular formula C20H11Cl3N4OS and a molecular weight of 461.76 g/mol. Its IUPAC name is 5-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazole
PubChem CID155254974
Molecular FormulaC20H11Cl3N4OS
Molecular Weight461.76 g/mol
Exact Mass459.97
IUPAC Name5-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazole
SMILESClc1ccc(-c2nc3sccn3c2-c2nc(Cc3ccc(Cl)c(Cl)c3)no2)cc1
InChIInChI=1S/C20H11Cl3N4OS/c21-13-4-2-12(3-5-13)17-18(27-7-8-29-20(27)25-17)19-24-16(26-28-19)10-11-1-6-14(22)15(23)9-11/h1-9H,10H2
InChIKeyDKOIMMDMDGJHMP-UHFFFAOYSA-N
XLogP6.66
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.76
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[5-(4-chlorophenyl)-3-nonylimidazol-4-yl]-3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazole
CID 155264294
6-(4-chlorophenyl)-5-[2-(3,4-dichlorophenyl)ethoxymethyl]imidazo[2,1-b][1,3]thiazole
CID 142505454
N-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-(3,4-dichlorophenyl)ethanamine;hydrochloride
CID 155269225
N-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-(3,4-dichlorophenyl)-N-methylethanamine
CID 142505488
5-bromo-6-(3,4-dichlorophenyl)imidazo[2,1-b][1,3]thiazole
CID 134114479
3-[(4-chlorophenyl)methyl]-5-(4-phenylphenyl)-1,2,4-oxadiazole
CID 2259107
2-(3-bromo-4-chlorophenyl)-N-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine
CID 142505498
5-[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-amine
CID 62793983
4-[[4-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]triazol-1-yl]methyl]benzonitrile
CID 155255077
N-[(3,4-dichlorophenyl)methoxy]-1-[6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]methanimine
CID 155269219
2-(4-chlorophenyl)-3-[5-[(3,4-dichlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyridine
CID 155254988
1-[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol
CID 63349689

Frequently Asked Questions

What is the IUPAC name of 5-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazole (CID 155254974) is 5-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazole is Clc1ccc(-c2nc3sccn3c2-c2nc(Cc3ccc(Cl)c(Cl)c3)no2)cc1.
What is the InChIKey of 5-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazole?
The InChIKey is DKOIMMDMDGJHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11Cl3N4OS/c21-13-4-2-12(3-5-13)17-18(27-7-8-29-20(27)25-17)19-24-16(26-28-19)10-11-1-6-14(22)15(23)9-11/h1-9H,10H2.
What are the key properties of 5-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazole?
5-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazole has a molecular weight of 461.76 g/mol, XLogP of 6.66, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 155254974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).