3-[5-oxo-2-(thiophen-3-ylmethyl)pyrrolidin-2-yl]-N-[(4-phenyl-1,3-thiazol-5-yl)methyl]propanamide

C22H23N3O2S2 — CID 45170362

About 3-[5-oxo-2-(thiophen-3-ylmethyl)pyrrolidin-2-yl]-N-[(4-phenyl-1,3-thiazol-5-yl)methyl]propanamide

3-[5-oxo-2-(thiophen-3-ylmethyl)pyrrolidin-2-yl]-N-[(4-phenyl-1,3-thiazol-5-yl)methyl]propanamide (PubChem CID 45170362) has the molecular formula C22H23N3O2S2 and a molecular weight of 425.58 g/mol. Its IUPAC name is 3-[5-oxo-2-(thiophen-3-ylmethyl)pyrrolidin-2-yl]-N-[(4-phenyl-1,3-thiazol-5-yl)methyl]propanamide.

Molecular Properties

• Compound Name: 3-[5-oxo-2-(thiophen-3-ylmethyl)pyrrolidin-2-yl]-N-[(4-phenyl-1,3-thiazol-5-yl)methyl]propanamide
• PubChem CID: 45170362
• Molecular Formula: C22H23N3O2S2
• Molecular Weight: 425.58 g/mol
• Exact Mass: 425.12
• IUPAC Name: 3-[5-oxo-2-(thiophen-3-ylmethyl)pyrrolidin-2-yl]-N-[(4-phenyl-1,3-thiazol-5-yl)methyl]propanamide
• SMILES: O=C(CCC1(Cc2ccsc2)CCC(=O)N1)NCc1scnc1-c1ccccc1
• InChI: InChI=1S/C22H23N3O2S2/c26-19(23-13-18-21(24-15-29-18)17-4-2-1-3-5-17)6-9-22(10-7-20(27)25-22)12-16-8-11-28-14-16/h1-5,8,11,14-15H,6-7,9-10,12-13H2,(H,23,26)(H,25,27)
• InChIKey: ONOCYBUZLXYVMC-UHFFFAOYSA-N
• XLogP: 4.16
• TPSA: 71.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.58
LogP ≤ 5	4.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[5-oxo-2-(thiophen-3-ylmethyl)pyrrolidin-2-yl]-N-[(4-phenyl-1,3-thiazol-5-yl)methyl]propanamide?

The IUPAC name of 3-[5-oxo-2-(thiophen-3-ylmethyl)pyrrolidin-2-yl]-N-[(4-phenyl-1,3-thiazol-5-yl)methyl]propanamide (CID 45170362) is 3-[5-oxo-2-(thiophen-3-ylmethyl)pyrrolidin-2-yl]-N-[(4-phenyl-1,3-thiazol-5-yl)methyl]propanamide.

What is the SMILES notation for 3-[5-oxo-2-(thiophen-3-ylmethyl)pyrrolidin-2-yl]-N-[(4-phenyl-1,3-thiazol-5-yl)methyl]propanamide?

The canonical SMILES for 3-[5-oxo-2-(thiophen-3-ylmethyl)pyrrolidin-2-yl]-N-[(4-phenyl-1,3-thiazol-5-yl)methyl]propanamide is O=C(CCC1(Cc2ccsc2)CCC(=O)N1)NCc1scnc1-c1ccccc1.

What is the InChIKey of 3-[5-oxo-2-(thiophen-3-ylmethyl)pyrrolidin-2-yl]-N-[(4-phenyl-1,3-thiazol-5-yl)methyl]propanamide?

The InChIKey is ONOCYBUZLXYVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2S2/c26-19(23-13-18-21(24-15-29-18)17-4-2-1-3-5-17)6-9-22(10-7-20(27)25-22)12-16-8-11-28-14-16/h1-5,8,11,14-15H,6-7,9-10,12-13H2,(H,23,26)(H,25,27).

What are the key properties of 3-[5-oxo-2-(thiophen-3-ylmethyl)pyrrolidin-2-yl]-N-[(4-phenyl-1,3-thiazol-5-yl)methyl]propanamide?

3-[5-oxo-2-(thiophen-3-ylmethyl)pyrrolidin-2-yl]-N-[(4-phenyl-1,3-thiazol-5-yl)methyl]propanamide has a molecular weight of 425.58 g/mol, XLogP of 4.16, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-oxo-2-(thiophen-3-ylmethyl)pyrrolidin-2-yl]-N-[(4-phenyl-1,3-thiazol-5-yl)methyl]propanamide is sourced from PubChem (CID 45170362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).