1-[3-methyl-2-(2-methyl-1H-imidazol-5-yl)butanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide

C25H31N5O2S — CID 156720322

About 1-[3-methyl-2-(2-methyl-1H-imidazol-5-yl)butanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide

1-[3-methyl-2-(2-methyl-1H-imidazol-5-yl)butanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 156720322) has the molecular formula C25H31N5O2S and a molecular weight of 465.62 g/mol. Its IUPAC name is 1-[3-methyl-2-(2-methyl-1H-imidazol-5-yl)butanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: 1-[3-methyl-2-(2-methyl-1H-imidazol-5-yl)butanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
• PubChem CID: 156720322
• Molecular Formula: C25H31N5O2S
• Molecular Weight: 465.62 g/mol
• Exact Mass: 465.22
• IUPAC Name: 1-[3-methyl-2-(2-methyl-1H-imidazol-5-yl)butanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
• SMILES: Cc1ncc(C(C(=O)N2CCCC2C(=O)NCc2ccc(-c3scnc3C)cc2)C(C)C)[nH]1
• InChI: InChI=1S/C25H31N5O2S/c1-15(2)22(20-13-26-17(4)29-20)25(32)30-11-5-6-21(30)24(31)27-12-18-7-9-19(10-8-18)23-16(3)28-14-33-23/h7-10,13-15,21-22H,5-6,11-12H2,1-4H3,(H,26,29)(H,27,31)
• InChIKey: MIESQOMNUYIDEO-UHFFFAOYSA-N
• XLogP: 4.20
• TPSA: 90.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.62
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-2-(2-methyl-1H-imidazol-5-yl)butanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide?

The IUPAC name of 1-[3-methyl-2-(2-methyl-1H-imidazol-5-yl)butanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide (CID 156720322) is 1-[3-methyl-2-(2-methyl-1H-imidazol-5-yl)butanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide.

What is the SMILES notation for 1-[3-methyl-2-(2-methyl-1H-imidazol-5-yl)butanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide?

The canonical SMILES for 1-[3-methyl-2-(2-methyl-1H-imidazol-5-yl)butanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide is Cc1ncc(C(C(=O)N2CCCC2C(=O)NCc2ccc(-c3scnc3C)cc2)C(C)C)[nH]1.

What is the InChIKey of 1-[3-methyl-2-(2-methyl-1H-imidazol-5-yl)butanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide?

The InChIKey is MIESQOMNUYIDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O2S/c1-15(2)22(20-13-26-17(4)29-20)25(32)30-11-5-6-21(30)24(31)27-12-18-7-9-19(10-8-18)23-16(3)28-14-33-23/h7-10,13-15,21-22H,5-6,11-12H2,1-4H3,(H,26,29)(H,27,31).

What are the key properties of 1-[3-methyl-2-(2-methyl-1H-imidazol-5-yl)butanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide?

1-[3-methyl-2-(2-methyl-1H-imidazol-5-yl)butanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 465.62 g/mol, XLogP of 4.20, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-methyl-2-(2-methyl-1H-imidazol-5-yl)butanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 156720322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).