1-[3,3-dimethyl-2-(methylamino)butanoyl]-N-[5-(4-methyl-1,3-thiazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrrolidine-2-carboxamide

C25H34N4O2S — CID 155740095

About 1-[3,3-dimethyl-2-(methylamino)butanoyl]-N-[5-(4-methyl-1,3-thiazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrrolidine-2-carboxamide

1-[3,3-dimethyl-2-(methylamino)butanoyl]-N-[5-(4-methyl-1,3-thiazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrrolidine-2-carboxamide (PubChem CID 155740095) has the molecular formula C25H34N4O2S and a molecular weight of 454.64 g/mol. Its IUPAC name is 1-[3,3-dimethyl-2-(methylamino)butanoyl]-N-[5-(4-methyl-1,3-thiazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: 1-[3,3-dimethyl-2-(methylamino)butanoyl]-N-[5-(4-methyl-1,3-thiazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrrolidine-2-carboxamide
• PubChem CID: 155740095
• Molecular Formula: C25H34N4O2S
• Molecular Weight: 454.64 g/mol
• Exact Mass: 454.24
• IUPAC Name: 1-[3,3-dimethyl-2-(methylamino)butanoyl]-N-[5-(4-methyl-1,3-thiazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrrolidine-2-carboxamide
• SMILES: CNC(C(=O)N1CCCC1C(=O)NC1CCc2cc(-c3scnc3C)ccc21)C(C)(C)C
• InChI: InChI=1S/C25H34N4O2S/c1-15-21(32-14-27-15)17-8-10-18-16(13-17)9-11-19(18)28-23(30)20-7-6-12-29(20)24(31)22(26-5)25(2,3)4/h8,10,13-14,19-20,22,26H,6-7,9,11-12H2,1-5H3,(H,28,30)
• InChIKey: AKISOKBSZCOFCR-UHFFFAOYSA-N
• XLogP: 3.85
• TPSA: 74.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	454.64
LogP ≤ 5	3.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-[3,3-dimethyl-2-(methylamino)butanoyl]-N-[5-(4-methyl-1,3-thiazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrrolidine-2-carboxamide (CID 155740095) is 1-[3,3-dimethyl-2-(methylamino)butanoyl]-N-[5-(4-methyl-1,3-thiazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrrolidine-2-carboxamide.

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

The canonical SMILES for 1-[3,3-dimethyl-2-(methylamino)butanoyl]-N-[5-(4-methyl-1,3-thiazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrrolidine-2-carboxamide is CNC(C(=O)N1CCCC1C(=O)NC1CCc2cc(-c3scnc3C)ccc21)C(C)(C)C.

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

The InChIKey is AKISOKBSZCOFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O2S/c1-15-21(32-14-27-15)17-8-10-18-16(13-17)9-11-19(18)28-23(30)20-7-6-12-29(20)24(31)22(26-5)25(2,3)4/h8,10,13-14,19-20,22,26H,6-7,9,11-12H2,1-5H3,(H,28,30).

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

1-[3,3-dimethyl-2-(methylamino)butanoyl]-N-[5-(4-methyl-1,3-thiazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrrolidine-2-carboxamide has a molecular weight of 454.64 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3,3-dimethyl-2-(methylamino)butanoyl]-N-[5-(4-methyl-1,3-thiazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 155740095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).