2-[2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazol-6-yl]-1,3-oxazole

C33H20N4OS — CID 142329489

About 2-[2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazol-6-yl]-1,3-oxazole

2-[2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazol-6-yl]-1,3-oxazole (PubChem CID 142329489) has the molecular formula C33H20N4OS and a molecular weight of 520.62 g/mol. Its IUPAC name is 2-[2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazol-6-yl]-1,3-oxazole.

Molecular Properties

• Compound Name: 2-[2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazol-6-yl]-1,3-oxazole
• PubChem CID: 142329489
• Molecular Formula: C33H20N4OS
• Molecular Weight: 520.62 g/mol
• Exact Mass: 520.14
• IUPAC Name: 2-[2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazol-6-yl]-1,3-oxazole
• SMILES: c1ccc(-c2cccc(-n3c4ccccc4c4ccc(-c5nc6ccc(-c7ncco7)cc6s5)cc43)c2)nc1
• InChI: InChI=1S/C33H20N4OS/c1-2-10-29-25(8-1)26-13-11-23(33-36-28-14-12-22(20-31(28)39-33)32-35-16-17-38-32)19-30(26)37(29)24-7-5-6-21(18-24)27-9-3-4-15-34-27/h1-20H
• InChIKey: UKGQCQFGGVSSCG-UHFFFAOYSA-N
• XLogP: 8.78
• TPSA: 56.74 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	520.62
LogP ≤ 5	8.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazol-6-yl]-1,3-oxazole?

The IUPAC name of 2-[2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazol-6-yl]-1,3-oxazole (CID 142329489) is 2-[2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazol-6-yl]-1,3-oxazole.

What is the SMILES notation for 2-[2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazol-6-yl]-1,3-oxazole?

The canonical SMILES for 2-[2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazol-6-yl]-1,3-oxazole is c1ccc(-c2cccc(-n3c4ccccc4c4ccc(-c5nc6ccc(-c7ncco7)cc6s5)cc43)c2)nc1.

What is the InChIKey of 2-[2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazol-6-yl]-1,3-oxazole?

The InChIKey is UKGQCQFGGVSSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H20N4OS/c1-2-10-29-25(8-1)26-13-11-23(33-36-28-14-12-22(20-31(28)39-33)32-35-16-17-38-32)19-30(26)37(29)24-7-5-6-21(18-24)27-9-3-4-15-34-27/h1-20H.

What are the key properties of 2-[2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazol-6-yl]-1,3-oxazole?

2-[2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazol-6-yl]-1,3-oxazole has a molecular weight of 520.62 g/mol, XLogP of 8.78, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazol-6-yl]-1,3-oxazole is sourced from PubChem (CID 142329489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).