2-[6-(2-methylphenyl)-2-pyridinyl]-5-[5-[5-[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]-1,3,4-thiadiazol-2-yl]thiophen-2-yl]-1,3,4-thiadiazole

C32H19F3N6S3 — CID 71047301

About 2-[6-(2-methylphenyl)-2-pyridinyl]-5-[5-[5-[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]-1,3,4-thiadiazol-2-yl]thiophen-2-yl]-1,3,4-thiadiazole

2-[6-(2-methylphenyl)-2-pyridinyl]-5-[5-[5-[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]-1,3,4-thiadiazol-2-yl]thiophen-2-yl]-1,3,4-thiadiazole (PubChem CID 71047301) has the molecular formula C32H19F3N6S3 and a molecular weight of 640.74 g/mol. Its IUPAC name is 2-[6-(2-methylphenyl)-2-pyridinyl]-5-[5-[5-[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]-1,3,4-thiadiazol-2-yl]thiophen-2-yl]-1,3,4-thiadiazole.

Molecular Properties

• Compound Name: 2-[6-(2-methylphenyl)-2-pyridinyl]-5-[5-[5-[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]-1,3,4-thiadiazol-2-yl]thiophen-2-yl]-1,3,4-thiadiazole
• PubChem CID: 71047301
• Molecular Formula: C32H19F3N6S3
• Molecular Weight: 640.74 g/mol
• Exact Mass: 640.08
• IUPAC Name: 2-[6-(2-methylphenyl)-2-pyridinyl]-5-[5-[5-[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]-1,3,4-thiadiazol-2-yl]thiophen-2-yl]-1,3,4-thiadiazole
• SMILES: Cc1ccccc1-c1cccc(-c2nnc(-c3ccc(-c4nnc(-c5cccc(-c6ccccc6C(F)(F)F)n5)s4)s3)s2)n1
• InChI: InChI=1S/C32H19F3N6S3/c1-18-8-2-3-9-19(18)22-12-6-14-24(36-22)28-38-40-30(43-28)26-16-17-27(42-26)31-41-39-29(44-31)25-15-7-13-23(37-25)20-10-4-5-11-21(20)32(33,34)35/h2-17H,1H3
• InChIKey: XLTJCJMJYYLUFU-UHFFFAOYSA-N
• XLogP: 9.57
• TPSA: 77.34 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	640.74
LogP ≤ 5	9.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-methylphenyl)-2-pyridinyl]-5-[5-[5-[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]-1,3,4-thiadiazol-2-yl]thiophen-2-yl]-1,3,4-thiadiazole?

The IUPAC name of 2-[6-(2-methylphenyl)-2-pyridinyl]-5-[5-[5-[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]-1,3,4-thiadiazol-2-yl]thiophen-2-yl]-1,3,4-thiadiazole (CID 71047301) is 2-[6-(2-methylphenyl)-2-pyridinyl]-5-[5-[5-[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]-1,3,4-thiadiazol-2-yl]thiophen-2-yl]-1,3,4-thiadiazole.

What is the SMILES notation for 2-[6-(2-methylphenyl)-2-pyridinyl]-5-[5-[5-[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]-1,3,4-thiadiazol-2-yl]thiophen-2-yl]-1,3,4-thiadiazole?

The canonical SMILES for 2-[6-(2-methylphenyl)-2-pyridinyl]-5-[5-[5-[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]-1,3,4-thiadiazol-2-yl]thiophen-2-yl]-1,3,4-thiadiazole is Cc1ccccc1-c1cccc(-c2nnc(-c3ccc(-c4nnc(-c5cccc(-c6ccccc6C(F)(F)F)n5)s4)s3)s2)n1.

What is the InChIKey of 2-[6-(2-methylphenyl)-2-pyridinyl]-5-[5-[5-[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]-1,3,4-thiadiazol-2-yl]thiophen-2-yl]-1,3,4-thiadiazole?

The InChIKey is XLTJCJMJYYLUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H19F3N6S3/c1-18-8-2-3-9-19(18)22-12-6-14-24(36-22)28-38-40-30(43-28)26-16-17-27(42-26)31-41-39-29(44-31)25-15-7-13-23(37-25)20-10-4-5-11-21(20)32(33,34)35/h2-17H,1H3.

What are the key properties of 2-[6-(2-methylphenyl)-2-pyridinyl]-5-[5-[5-[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]-1,3,4-thiadiazol-2-yl]thiophen-2-yl]-1,3,4-thiadiazole?

2-[6-(2-methylphenyl)-2-pyridinyl]-5-[5-[5-[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]-1,3,4-thiadiazol-2-yl]thiophen-2-yl]-1,3,4-thiadiazole has a molecular weight of 640.74 g/mol, XLogP of 9.57, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-(2-methylphenyl)-2-pyridinyl]-5-[5-[5-[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]-1,3,4-thiadiazol-2-yl]thiophen-2-yl]-1,3,4-thiadiazole is sourced from PubChem (CID 71047301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).