6-(4-chlorophenyl)-5-[1-[(4-chlorophenyl)methyl]triazol-4-yl]imidazo[2,1-b][1,3]thiazole

C20H13Cl2N5S — CID 155254994

IUPAC6-(4-chlorophenyl)-5-[1-[(4-chlorophenyl)methyl]triazol-4-yl]imidazo[2,1-b][1,3]thiazole
SMILESClc1ccc(Cn2cc(-c3c(-c4ccc(Cl)cc4)nc4sccn34)nn2)cc1
InChIInChI=1S/C20H13Cl2N5S/c21-15-5-1-13(2-6-15)11-26-12-17(24-25-26)19-18(14-3-7-16(22)8-4-14)23-20-27(19)9-10-28-20/h1-10,12H,11H2
InChIKeyNCNBSODTUMOWHP-UHFFFAOYSA-N
MW426.33 g/mol
LogP5.68
Rot. Bonds4

About 6-(4-chlorophenyl)-5-[1-[(4-chlorophenyl)methyl]triazol-4-yl]imidazo[2,1-b][1,3]thiazole

6-(4-chlorophenyl)-5-[1-[(4-chlorophenyl)methyl]triazol-4-yl]imidazo[2,1-b][1,3]thiazole (PubChem CID 155254994) has the molecular formula C20H13Cl2N5S and a molecular weight of 426.33 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-5-[1-[(4-chlorophenyl)methyl]triazol-4-yl]imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-(4-chlorophenyl)-5-[1-[(4-chlorophenyl)methyl]triazol-4-yl]imidazo[2,1-b][1,3]thiazole
PubChem CID155254994
Molecular FormulaC20H13Cl2N5S
Molecular Weight426.33 g/mol
Exact Mass425.03
IUPAC Name6-(4-chlorophenyl)-5-[1-[(4-chlorophenyl)methyl]triazol-4-yl]imidazo[2,1-b][1,3]thiazole
SMILESClc1ccc(Cn2cc(-c3c(-c4ccc(Cl)cc4)nc4sccn34)nn2)cc1
InChIInChI=1S/C20H13Cl2N5S/c21-15-5-1-13(2-6-15)11-26-12-17(24-25-26)19-18(14-3-7-16(22)8-4-14)23-20-27(19)9-10-28-20/h1-10,12H,11H2
InChIKeyNCNBSODTUMOWHP-UHFFFAOYSA-N
XLogP5.68
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.33
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-(3-Chlorophenyl)-2-methylimidazo(2,1-b)(1,3)thiazole
CID 868206
4-[2-(6-Phenylimidazo[2,1-b][1,3]thiazol-5-yl)vinyl]-2-pyrimidinamine
CID 5916724
5-[Bis-(4-chloro-phenyl)-imidazol-1-yl-methyl]-thiazole
CID 44356745
N-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-phenylethanamine
CID 142505357
2-(4-chlorophenyl)-N-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine
CID 142505364
N-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2,3-dihydro-1H-inden-2-amine
CID 142505382
2-(3,4-dichlorophenyl)-N-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine
CID 142505403
N-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-(3,4-dichlorophenyl)ethanamine
CID 142505420
2-(3,4-dichlorophenyl)-N-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine
CID 142505442
2-(3,4-dichlorophenyl)-N-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 142505477
N-[[6-(3-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-(3,4-dichlorophenyl)ethanamine
CID 142505484
N-benzyl-4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-amine
CID 800766

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-5-[1-[(4-chlorophenyl)methyl]triazol-4-yl]imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-(4-chlorophenyl)-5-[1-[(4-chlorophenyl)methyl]triazol-4-yl]imidazo[2,1-b][1,3]thiazole (CID 155254994) is 6-(4-chlorophenyl)-5-[1-[(4-chlorophenyl)methyl]triazol-4-yl]imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-(4-chlorophenyl)-5-[1-[(4-chlorophenyl)methyl]triazol-4-yl]imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-(4-chlorophenyl)-5-[1-[(4-chlorophenyl)methyl]triazol-4-yl]imidazo[2,1-b][1,3]thiazole is Clc1ccc(Cn2cc(-c3c(-c4ccc(Cl)cc4)nc4sccn34)nn2)cc1.
What is the InChIKey of 6-(4-chlorophenyl)-5-[1-[(4-chlorophenyl)methyl]triazol-4-yl]imidazo[2,1-b][1,3]thiazole?
The InChIKey is NCNBSODTUMOWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2N5S/c21-15-5-1-13(2-6-15)11-26-12-17(24-25-26)19-18(14-3-7-16(22)8-4-14)23-20-27(19)9-10-28-20/h1-10,12H,11H2.
What are the key properties of 6-(4-chlorophenyl)-5-[1-[(4-chlorophenyl)methyl]triazol-4-yl]imidazo[2,1-b][1,3]thiazole?
6-(4-chlorophenyl)-5-[1-[(4-chlorophenyl)methyl]triazol-4-yl]imidazo[2,1-b][1,3]thiazole has a molecular weight of 426.33 g/mol, XLogP of 5.68, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-5-[1-[(4-chlorophenyl)methyl]triazol-4-yl]imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 155254994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).