(2S)-1-[1-[2-(5-methylfuran-2-yl)-1,3-thiazole-4-carbonyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

C20H24N4O4S — CID 51962685

About (2S)-1-[1-[2-(5-methylfuran-2-yl)-1,3-thiazole-4-carbonyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

(2S)-1-[1-[2-(5-methylfuran-2-yl)-1,3-thiazole-4-carbonyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide (PubChem CID 51962685) has the molecular formula C20H24N4O4S and a molecular weight of 416.50 g/mol. Its IUPAC name is (2S)-1-[1-[2-(5-methylfuran-2-yl)-1,3-thiazole-4-carbonyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: (2S)-1-[1-[2-(5-methylfuran-2-yl)-1,3-thiazole-4-carbonyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide
• PubChem CID: 51962685
• Molecular Formula: C20H24N4O4S
• Molecular Weight: 416.50 g/mol
• Exact Mass: 416.15
• IUPAC Name: (2S)-1-[1-[2-(5-methylfuran-2-yl)-1,3-thiazole-4-carbonyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide
• SMILES: Cc1ccc(-c2nc(C(=O)N3CCC(C(=O)N4CCC[C@H]4C(N)=O)CC3)cs2)o1
• InChI: InChI=1S/C20H24N4O4S/c1-12-4-5-16(28-12)18-22-14(11-29-18)20(27)23-9-6-13(7-10-23)19(26)24-8-2-3-15(24)17(21)25/h4-5,11,13,15H,2-3,6-10H2,1H3,(H2,21,25)/t15-/m0/s1
• InChIKey: CRUKEDDTJQRTIB-HNNXBMFYSA-N
• XLogP: 2.04
• TPSA: 109.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.50
LogP ≤ 5	2.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[1-[2-(5-methylfuran-2-yl)-1,3-thiazole-4-carbonyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide?

The IUPAC name of (2S)-1-[1-[2-(5-methylfuran-2-yl)-1,3-thiazole-4-carbonyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide (CID 51962685) is (2S)-1-[1-[2-(5-methylfuran-2-yl)-1,3-thiazole-4-carbonyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide.

What is the SMILES notation for (2S)-1-[1-[2-(5-methylfuran-2-yl)-1,3-thiazole-4-carbonyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide?

The canonical SMILES for (2S)-1-[1-[2-(5-methylfuran-2-yl)-1,3-thiazole-4-carbonyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide is Cc1ccc(-c2nc(C(=O)N3CCC(C(=O)N4CCC[C@H]4C(N)=O)CC3)cs2)o1.

What is the InChIKey of (2S)-1-[1-[2-(5-methylfuran-2-yl)-1,3-thiazole-4-carbonyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide?

The InChIKey is CRUKEDDTJQRTIB-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H24N4O4S/c1-12-4-5-16(28-12)18-22-14(11-29-18)20(27)23-9-6-13(7-10-23)19(26)24-8-2-3-15(24)17(21)25/h4-5,11,13,15H,2-3,6-10H2,1H3,(H2,21,25)/t15-/m0/s1.

What are the key properties of (2S)-1-[1-[2-(5-methylfuran-2-yl)-1,3-thiazole-4-carbonyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide?

(2S)-1-[1-[2-(5-methylfuran-2-yl)-1,3-thiazole-4-carbonyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide has a molecular weight of 416.50 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-1-[1-[2-(5-methylfuran-2-yl)-1,3-thiazole-4-carbonyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 51962685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).