1-(3-methylphenyl)-5-oxo-N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide

C23H24N4O2S — CID 17120756

About 1-(3-methylphenyl)-5-oxo-N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide

1-(3-methylphenyl)-5-oxo-N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide (PubChem CID 17120756) has the molecular formula C23H24N4O2S and a molecular weight of 420.54 g/mol. Its IUPAC name is 1-(3-methylphenyl)-5-oxo-N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(3-methylphenyl)-5-oxo-N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide
• PubChem CID: 17120756
• Molecular Formula: C23H24N4O2S
• Molecular Weight: 420.54 g/mol
• Exact Mass: 420.16
• IUPAC Name: 1-(3-methylphenyl)-5-oxo-N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide
• SMILES: Cc1cccc(N2CC(C(=O)Nc3nnc(CCCc4ccccc4)s3)CC2=O)c1
• InChI: InChI=1S/C23H24N4O2S/c1-16-7-5-11-19(13-16)27-15-18(14-21(27)28)22(29)24-23-26-25-20(30-23)12-6-10-17-8-3-2-4-9-17/h2-5,7-9,11,13,18H,6,10,12,14-15H2,1H3,(H,24,26,29)
• InChIKey: XAKXEPGSZMJUOT-UHFFFAOYSA-N
• XLogP: 4.01
• TPSA: 75.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.54
LogP ≤ 5	4.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-5-oxo-N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide?

The IUPAC name of 1-(3-methylphenyl)-5-oxo-N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide (CID 17120756) is 1-(3-methylphenyl)-5-oxo-N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide.

What is the SMILES notation for 1-(3-methylphenyl)-5-oxo-N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide?

The canonical SMILES for 1-(3-methylphenyl)-5-oxo-N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide is Cc1cccc(N2CC(C(=O)Nc3nnc(CCCc4ccccc4)s3)CC2=O)c1.

What is the InChIKey of 1-(3-methylphenyl)-5-oxo-N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide?

The InChIKey is XAKXEPGSZMJUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2S/c1-16-7-5-11-19(13-16)27-15-18(14-21(27)28)22(29)24-23-26-25-20(30-23)12-6-10-17-8-3-2-4-9-17/h2-5,7-9,11,13,18H,6,10,12,14-15H2,1H3,(H,24,26,29).

What are the key properties of 1-(3-methylphenyl)-5-oxo-N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide?

1-(3-methylphenyl)-5-oxo-N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide has a molecular weight of 420.54 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-methylphenyl)-5-oxo-N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 17120756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).