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

C34H22N4S2 — CID 59999937

IUPAC6-phenyl-5-[4-[4-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)phenyl]phenyl]imidazo[2,1-b][1,3]thiazole
SMILESc1ccc(-c2nc3sccn3c2-c2ccc(-c3ccc(-c4c(-c5ccccc5)nc5sccn45)cc3)cc2)cc1
InChIInChI=1S/C34H22N4S2/c1-3-7-25(8-4-1)29-31(37-19-21-39-33(37)35-29)27-15-11-23(12-16-27)24-13-17-28(18-14-24)32-30(26-9-5-2-6-10-26)36-34-38(32)20-22-40-34/h1-22H
InChIKeyBTEOVZIJIVGVRA-UHFFFAOYSA-N
MW550.71 g/mol
LogP9.44
Rot. Bonds5

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

6-phenyl-5-[4-[4-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)phenyl]phenyl]imidazo[2,1-b][1,3]thiazole (PubChem CID 59999937) has the molecular formula C34H22N4S2 and a molecular weight of 550.71 g/mol. Its IUPAC name is 6-phenyl-5-[4-[4-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)phenyl]phenyl]imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-phenyl-5-[4-[4-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)phenyl]phenyl]imidazo[2,1-b][1,3]thiazole
PubChem CID59999937
Molecular FormulaC34H22N4S2
Molecular Weight550.71 g/mol
Exact Mass550.13
IUPAC Name6-phenyl-5-[4-[4-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)phenyl]phenyl]imidazo[2,1-b][1,3]thiazole
SMILESc1ccc(-c2nc3sccn3c2-c2ccc(-c3ccc(-c4c(-c5ccccc5)nc5sccn45)cc3)cc2)cc1
InChIInChI=1S/C34H22N4S2/c1-3-7-25(8-4-1)29-31(37-19-21-39-33(37)35-29)27-15-11-23(12-16-27)24-13-17-28(18-14-24)32-30(26-9-5-2-6-10-26)36-34-38(32)20-22-40-34/h1-22H
InChIKeyBTEOVZIJIVGVRA-UHFFFAOYSA-N
XLogP9.44
TPSA34.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.71
LogP ≤ 59.44
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-[4-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)phenyl]phenyl]imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-phenyl-5-[4-[4-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)phenyl]phenyl]imidazo[2,1-b][1,3]thiazole (CID 59999937) is 6-phenyl-5-[4-[4-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)phenyl]phenyl]imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-phenyl-5-[4-[4-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)phenyl]phenyl]imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-phenyl-5-[4-[4-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)phenyl]phenyl]imidazo[2,1-b][1,3]thiazole is c1ccc(-c2nc3sccn3c2-c2ccc(-c3ccc(-c4c(-c5ccccc5)nc5sccn45)cc3)cc2)cc1.
What is the InChIKey of 6-phenyl-5-[4-[4-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)phenyl]phenyl]imidazo[2,1-b][1,3]thiazole?
The InChIKey is BTEOVZIJIVGVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22N4S2/c1-3-7-25(8-4-1)29-31(37-19-21-39-33(37)35-29)27-15-11-23(12-16-27)24-13-17-28(18-14-24)32-30(26-9-5-2-6-10-26)36-34-38(32)20-22-40-34/h1-22H.
What are the key properties of 6-phenyl-5-[4-[4-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)phenyl]phenyl]imidazo[2,1-b][1,3]thiazole?
6-phenyl-5-[4-[4-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)phenyl]phenyl]imidazo[2,1-b][1,3]thiazole has a molecular weight of 550.71 g/mol, XLogP of 9.44, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-5-[4-[4-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)phenyl]phenyl]imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 59999937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).