6-phenyl-5-[4-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)phenyl]imidazo[2,1-b][1,3]thiazole

C28H18N4S2 — CID 59999910

IUPAC6-phenyl-5-[4-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)phenyl]imidazo[2,1-b][1,3]thiazole
SMILESc1ccc(-c2nc3sccn3c2-c2ccc(-c3c(-c4ccccc4)nc4sccn34)cc2)cc1
InChIInChI=1S/C28H18N4S2/c1-3-7-19(8-4-1)23-25(31-15-17-33-27(31)29-23)21-11-13-22(14-12-21)26-24(20-9-5-2-6-10-20)30-28-32(26)16-18-34-28/h1-18H
InChIKeyQDKKMPFUYHYFLD-UHFFFAOYSA-N
MW474.61 g/mol
LogP7.77
Rot. Bonds4

About 6-phenyl-5-[4-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)phenyl]imidazo[2,1-b][1,3]thiazole

6-phenyl-5-[4-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)phenyl]imidazo[2,1-b][1,3]thiazole (PubChem CID 59999910) has the molecular formula C28H18N4S2 and a molecular weight of 474.61 g/mol. Its IUPAC name is 6-phenyl-5-[4-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)phenyl]imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-phenyl-5-[4-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)phenyl]imidazo[2,1-b][1,3]thiazole
PubChem CID59999910
Molecular FormulaC28H18N4S2
Molecular Weight474.61 g/mol
Exact Mass474.10
IUPAC Name6-phenyl-5-[4-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)phenyl]imidazo[2,1-b][1,3]thiazole
SMILESc1ccc(-c2nc3sccn3c2-c2ccc(-c3c(-c4ccccc4)nc4sccn34)cc2)cc1
InChIInChI=1S/C28H18N4S2/c1-3-7-19(8-4-1)23-25(31-15-17-33-27(31)29-23)21-11-13-22(14-12-21)26-24(20-9-5-2-6-10-20)30-28-32(26)16-18-34-28/h1-18H
InChIKeyQDKKMPFUYHYFLD-UHFFFAOYSA-N
XLogP7.77
TPSA34.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.61
LogP ≤ 57.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-5-[4-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)phenyl]imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-phenyl-5-[4-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)phenyl]imidazo[2,1-b][1,3]thiazole (CID 59999910) is 6-phenyl-5-[4-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)phenyl]imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-phenyl-5-[4-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)phenyl]imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-phenyl-5-[4-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)phenyl]imidazo[2,1-b][1,3]thiazole is c1ccc(-c2nc3sccn3c2-c2ccc(-c3c(-c4ccccc4)nc4sccn34)cc2)cc1.
What is the InChIKey of 6-phenyl-5-[4-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)phenyl]imidazo[2,1-b][1,3]thiazole?
The InChIKey is QDKKMPFUYHYFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18N4S2/c1-3-7-19(8-4-1)23-25(31-15-17-33-27(31)29-23)21-11-13-22(14-12-21)26-24(20-9-5-2-6-10-20)30-28-32(26)16-18-34-28/h1-18H.
What are the key properties of 6-phenyl-5-[4-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)phenyl]imidazo[2,1-b][1,3]thiazole?
6-phenyl-5-[4-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)phenyl]imidazo[2,1-b][1,3]thiazole has a molecular weight of 474.61 g/mol, XLogP of 7.77, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-5-[4-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)phenyl]imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 59999910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).