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

C29H19N3S — CID 59691162

IUPAC5-carbazol-9-yl-6-(4-phenylphenyl)imidazo[2,1-b][1,3]thiazole
SMILESc1ccc(-c2ccc(-c3nc4sccn4c3-n3c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/C29H19N3S/c1-2-8-20(9-3-1)21-14-16-22(17-15-21)27-28(31-18-19-33-29(31)30-27)32-25-12-6-4-10-23(25)24-11-5-7-13-26(24)32/h1-19H
InChIKeyRCDIIFCMGCMBRE-UHFFFAOYSA-N
MW441.56 g/mol
LogP7.83
Rot. Bonds3

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

5-carbazol-9-yl-6-(4-phenylphenyl)imidazo[2,1-b][1,3]thiazole (PubChem CID 59691162) has the molecular formula C29H19N3S and a molecular weight of 441.56 g/mol. Its IUPAC name is 5-carbazol-9-yl-6-(4-phenylphenyl)imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name5-carbazol-9-yl-6-(4-phenylphenyl)imidazo[2,1-b][1,3]thiazole
PubChem CID59691162
Molecular FormulaC29H19N3S
Molecular Weight441.56 g/mol
Exact Mass441.13
IUPAC Name5-carbazol-9-yl-6-(4-phenylphenyl)imidazo[2,1-b][1,3]thiazole
SMILESc1ccc(-c2ccc(-c3nc4sccn4c3-n3c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/C29H19N3S/c1-2-8-20(9-3-1)21-14-16-22(17-15-21)27-28(31-18-19-33-29(31)30-27)32-25-12-6-4-10-23(25)24-11-5-7-13-26(24)32/h1-19H
InChIKeyRCDIIFCMGCMBRE-UHFFFAOYSA-N
XLogP7.83
TPSA22.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.56
LogP ≤ 57.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-carbazol-9-yl-6-(4-phenylphenyl)imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 5-carbazol-9-yl-6-(4-phenylphenyl)imidazo[2,1-b][1,3]thiazole (CID 59691162) is 5-carbazol-9-yl-6-(4-phenylphenyl)imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 5-carbazol-9-yl-6-(4-phenylphenyl)imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 5-carbazol-9-yl-6-(4-phenylphenyl)imidazo[2,1-b][1,3]thiazole is c1ccc(-c2ccc(-c3nc4sccn4c3-n3c4ccccc4c4ccccc43)cc2)cc1.
What is the InChIKey of 5-carbazol-9-yl-6-(4-phenylphenyl)imidazo[2,1-b][1,3]thiazole?
The InChIKey is RCDIIFCMGCMBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19N3S/c1-2-8-20(9-3-1)21-14-16-22(17-15-21)27-28(31-18-19-33-29(31)30-27)32-25-12-6-4-10-23(25)24-11-5-7-13-26(24)32/h1-19H.
What are the key properties of 5-carbazol-9-yl-6-(4-phenylphenyl)imidazo[2,1-b][1,3]thiazole?
5-carbazol-9-yl-6-(4-phenylphenyl)imidazo[2,1-b][1,3]thiazole has a molecular weight of 441.56 g/mol, XLogP of 7.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carbazol-9-yl-6-(4-phenylphenyl)imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 59691162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).