5-(2,5-difluorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenyl-2-(3-pyrrolidin-1-ylpropyl)-1,3,4-thiadiazole

C24H25F2N5S2 — CID 68504134

About 5-(2,5-difluorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenyl-2-(3-pyrrolidin-1-ylpropyl)-1,3,4-thiadiazole

5-(2,5-difluorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenyl-2-(3-pyrrolidin-1-ylpropyl)-1,3,4-thiadiazole (PubChem CID 68504134) has the molecular formula C24H25F2N5S2 and a molecular weight of 485.63 g/mol. Its IUPAC name is 5-(2,5-difluorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenyl-2-(3-pyrrolidin-1-ylpropyl)-1,3,4-thiadiazole.

Molecular Properties

• Compound Name: 5-(2,5-difluorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenyl-2-(3-pyrrolidin-1-ylpropyl)-1,3,4-thiadiazole
• PubChem CID: 68504134
• Molecular Formula: C24H25F2N5S2
• Molecular Weight: 485.63 g/mol
• Exact Mass: 485.15
• IUPAC Name: 5-(2,5-difluorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenyl-2-(3-pyrrolidin-1-ylpropyl)-1,3,4-thiadiazole
• SMILES: Cc1nnc(N2N=C(c3cc(F)ccc3F)SC2(CCCN2CCCC2)c2ccccc2)s1
• InChI: InChI=1S/C24H25F2N5S2/c1-17-27-28-23(32-17)31-24(18-8-3-2-4-9-18,12-7-15-30-13-5-6-14-30)33-22(29-31)20-16-19(25)10-11-21(20)26/h2-4,8-11,16H,5-7,12-15H2,1H3
• InChIKey: SZSRDRHEXUOYBR-UHFFFAOYSA-N
• XLogP: 5.77
• TPSA: 44.62 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	485.63
LogP ≤ 5	5.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-difluorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenyl-2-(3-pyrrolidin-1-ylpropyl)-1,3,4-thiadiazole?

The IUPAC name of 5-(2,5-difluorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenyl-2-(3-pyrrolidin-1-ylpropyl)-1,3,4-thiadiazole (CID 68504134) is 5-(2,5-difluorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenyl-2-(3-pyrrolidin-1-ylpropyl)-1,3,4-thiadiazole.

What is the SMILES notation for 5-(2,5-difluorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenyl-2-(3-pyrrolidin-1-ylpropyl)-1,3,4-thiadiazole?

The canonical SMILES for 5-(2,5-difluorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenyl-2-(3-pyrrolidin-1-ylpropyl)-1,3,4-thiadiazole is Cc1nnc(N2N=C(c3cc(F)ccc3F)SC2(CCCN2CCCC2)c2ccccc2)s1.

What is the InChIKey of 5-(2,5-difluorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenyl-2-(3-pyrrolidin-1-ylpropyl)-1,3,4-thiadiazole?

The InChIKey is SZSRDRHEXUOYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N5S2/c1-17-27-28-23(32-17)31-24(18-8-3-2-4-9-18,12-7-15-30-13-5-6-14-30)33-22(29-31)20-16-19(25)10-11-21(20)26/h2-4,8-11,16H,5-7,12-15H2,1H3.

What are the key properties of 5-(2,5-difluorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenyl-2-(3-pyrrolidin-1-ylpropyl)-1,3,4-thiadiazole?

5-(2,5-difluorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenyl-2-(3-pyrrolidin-1-ylpropyl)-1,3,4-thiadiazole has a molecular weight of 485.63 g/mol, XLogP of 5.77, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2,5-difluorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenyl-2-(3-pyrrolidin-1-ylpropyl)-1,3,4-thiadiazole is sourced from PubChem (CID 68504134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).