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

C33H21N3S — CID 59691170

IUPAC5-(4-carbazol-9-ylphenyl)-6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazole
SMILESc1ccc2cc(-c3nc4sccn4c3-c3ccc(-n4c5ccccc5c5ccccc54)cc3)ccc2c1
InChIInChI=1S/C33H21N3S/c1-2-8-24-21-25(14-13-22(24)7-1)31-32(35-19-20-37-33(35)34-31)23-15-17-26(18-16-23)36-29-11-5-3-9-27(29)28-10-4-6-12-30(28)36/h1-21H
InChIKeyPZMOOGCXRKOVST-UHFFFAOYSA-N
MW491.62 g/mol
LogP8.98
Rot. Bonds3

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

5-(4-carbazol-9-ylphenyl)-6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazole (PubChem CID 59691170) has the molecular formula C33H21N3S and a molecular weight of 491.62 g/mol. Its IUPAC name is 5-(4-carbazol-9-ylphenyl)-6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name5-(4-carbazol-9-ylphenyl)-6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazole
PubChem CID59691170
Molecular FormulaC33H21N3S
Molecular Weight491.62 g/mol
Exact Mass491.15
IUPAC Name5-(4-carbazol-9-ylphenyl)-6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazole
SMILESc1ccc2cc(-c3nc4sccn4c3-c3ccc(-n4c5ccccc5c5ccccc54)cc3)ccc2c1
InChIInChI=1S/C33H21N3S/c1-2-8-24-21-25(14-13-22(24)7-1)31-32(35-19-20-37-33(35)34-31)23-15-17-26(18-16-23)36-29-11-5-3-9-27(29)28-10-4-6-12-30(28)36/h1-21H
InChIKeyPZMOOGCXRKOVST-UHFFFAOYSA-N
XLogP8.98
TPSA22.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.62
LogP ≤ 58.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-carbazol-9-ylphenyl)-6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 5-(4-carbazol-9-ylphenyl)-6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazole (CID 59691170) is 5-(4-carbazol-9-ylphenyl)-6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 5-(4-carbazol-9-ylphenyl)-6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 5-(4-carbazol-9-ylphenyl)-6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazole is c1ccc2cc(-c3nc4sccn4c3-c3ccc(-n4c5ccccc5c5ccccc54)cc3)ccc2c1.
What is the InChIKey of 5-(4-carbazol-9-ylphenyl)-6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazole?
The InChIKey is PZMOOGCXRKOVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H21N3S/c1-2-8-24-21-25(14-13-22(24)7-1)31-32(35-19-20-37-33(35)34-31)23-15-17-26(18-16-23)36-29-11-5-3-9-27(29)28-10-4-6-12-30(28)36/h1-21H.
What are the key properties of 5-(4-carbazol-9-ylphenyl)-6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazole?
5-(4-carbazol-9-ylphenyl)-6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazole has a molecular weight of 491.62 g/mol, XLogP of 8.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-carbazol-9-ylphenyl)-6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 59691170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).