2-(3-fluoroanilino)-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide

C23H20FN5OS — CID 86896790

About 2-(3-fluoroanilino)-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide

2-(3-fluoroanilino)-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide (PubChem CID 86896790) has the molecular formula C23H20FN5OS and a molecular weight of 433.51 g/mol. Its IUPAC name is 2-(3-fluoroanilino)-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-(3-fluoroanilino)-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide
• PubChem CID: 86896790
• Molecular Formula: C23H20FN5OS
• Molecular Weight: 433.51 g/mol
• Exact Mass: 433.14
• IUPAC Name: 2-(3-fluoroanilino)-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide
• SMILES: CC(C)(c1ccccc1)c1nnc(NC(=O)c2cccnc2Nc2cccc(F)c2)s1
• InChI: InChI=1S/C23H20FN5OS/c1-23(2,15-8-4-3-5-9-15)21-28-29-22(31-21)27-20(30)18-12-7-13-25-19(18)26-17-11-6-10-16(24)14-17/h3-14H,1-2H3,(H,25,26)(H,27,29,30)
• InChIKey: VBYWZLCDUUVTRW-UHFFFAOYSA-N
• XLogP: 5.39
• TPSA: 79.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	433.51
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoroanilino)-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide?

The IUPAC name of 2-(3-fluoroanilino)-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide (CID 86896790) is 2-(3-fluoroanilino)-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide.

What is the SMILES notation for 2-(3-fluoroanilino)-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide?

The canonical SMILES for 2-(3-fluoroanilino)-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide is CC(C)(c1ccccc1)c1nnc(NC(=O)c2cccnc2Nc2cccc(F)c2)s1.

What is the InChIKey of 2-(3-fluoroanilino)-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide?

The InChIKey is VBYWZLCDUUVTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5OS/c1-23(2,15-8-4-3-5-9-15)21-28-29-22(31-21)27-20(30)18-12-7-13-25-19(18)26-17-11-6-10-16(24)14-17/h3-14H,1-2H3,(H,25,26)(H,27,29,30).

What are the key properties of 2-(3-fluoroanilino)-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide?

2-(3-fluoroanilino)-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide has a molecular weight of 433.51 g/mol, XLogP of 5.39, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-fluoroanilino)-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 86896790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).