5,6-bis(4-carbazol-9-ylphenyl)imidazo[2,1-b][1,3]thiazole

C41H26N4S — CID 59691051

IUPAC5,6-bis(4-carbazol-9-ylphenyl)imidazo[2,1-b][1,3]thiazole
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2nc3sccn3c2-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/C41H26N4S/c1-5-13-35-31(9-1)32-10-2-6-14-36(32)44(35)29-21-17-27(18-22-29)39-40(43-25-26-46-41(43)42-39)28-19-23-30(24-20-28)45-37-15-7-3-11-33(37)34-12-4-8-16-38(34)45/h1-26H
InChIKeyWNMHXTNBYIQEOF-UHFFFAOYSA-N
MW606.75 g/mol
LogP10.92
Rot. Bonds4

About 5,6-bis(4-carbazol-9-ylphenyl)imidazo[2,1-b][1,3]thiazole

5,6-bis(4-carbazol-9-ylphenyl)imidazo[2,1-b][1,3]thiazole (PubChem CID 59691051) has the molecular formula C41H26N4S and a molecular weight of 606.75 g/mol. Its IUPAC name is 5,6-bis(4-carbazol-9-ylphenyl)imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name5,6-bis(4-carbazol-9-ylphenyl)imidazo[2,1-b][1,3]thiazole
PubChem CID59691051
Molecular FormulaC41H26N4S
Molecular Weight606.75 g/mol
Exact Mass606.19
IUPAC Name5,6-bis(4-carbazol-9-ylphenyl)imidazo[2,1-b][1,3]thiazole
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2nc3sccn3c2-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/C41H26N4S/c1-5-13-35-31(9-1)32-10-2-6-14-36(32)44(35)29-21-17-27(18-22-29)39-40(43-25-26-46-41(43)42-39)28-19-23-30(24-20-28)45-37-15-7-3-11-33(37)34-12-4-8-16-38(34)45/h1-26H
InChIKeyWNMHXTNBYIQEOF-UHFFFAOYSA-N
XLogP10.92
TPSA27.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.75
LogP ≤ 510.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-bis(4-carbazol-9-ylphenyl)imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 5,6-bis(4-carbazol-9-ylphenyl)imidazo[2,1-b][1,3]thiazole (CID 59691051) is 5,6-bis(4-carbazol-9-ylphenyl)imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 5,6-bis(4-carbazol-9-ylphenyl)imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 5,6-bis(4-carbazol-9-ylphenyl)imidazo[2,1-b][1,3]thiazole is c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2nc3sccn3c2-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.
What is the InChIKey of 5,6-bis(4-carbazol-9-ylphenyl)imidazo[2,1-b][1,3]thiazole?
The InChIKey is WNMHXTNBYIQEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26N4S/c1-5-13-35-31(9-1)32-10-2-6-14-36(32)44(35)29-21-17-27(18-22-29)39-40(43-25-26-46-41(43)42-39)28-19-23-30(24-20-28)45-37-15-7-3-11-33(37)34-12-4-8-16-38(34)45/h1-26H.
What are the key properties of 5,6-bis(4-carbazol-9-ylphenyl)imidazo[2,1-b][1,3]thiazole?
5,6-bis(4-carbazol-9-ylphenyl)imidazo[2,1-b][1,3]thiazole has a molecular weight of 606.75 g/mol, XLogP of 10.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(4-carbazol-9-ylphenyl)imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 59691051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).