1-[2-[4-hydroxy-5-(indol-3-ylidenemethyl)-2-oxo-1,3-thiazol-3-yl]acetyl]piperidine-4-carboxylic acid

C20H19N3O5S — CID 4900555

About 1-[2-[4-hydroxy-5-(indol-3-ylidenemethyl)-2-oxo-1,3-thiazol-3-yl]acetyl]piperidine-4-carboxylic acid

1-[2-[4-hydroxy-5-(indol-3-ylidenemethyl)-2-oxo-1,3-thiazol-3-yl]acetyl]piperidine-4-carboxylic acid (PubChem CID 4900555) has the molecular formula C20H19N3O5S and a molecular weight of 413.46 g/mol. Its IUPAC name is 1-[2-[4-hydroxy-5-(indol-3-ylidenemethyl)-2-oxo-1,3-thiazol-3-yl]acetyl]piperidine-4-carboxylic acid.

Molecular Properties

• Compound Name: 1-[2-[4-hydroxy-5-(indol-3-ylidenemethyl)-2-oxo-1,3-thiazol-3-yl]acetyl]piperidine-4-carboxylic acid
• PubChem CID: 4900555
• Molecular Formula: C20H19N3O5S
• Molecular Weight: 413.46 g/mol
• Exact Mass: 413.10
• IUPAC Name: 1-[2-[4-hydroxy-5-(indol-3-ylidenemethyl)-2-oxo-1,3-thiazol-3-yl]acetyl]piperidine-4-carboxylic acid
• SMILES: O=C(O)C1CCN(C(=O)Cn2c(O)c(C=C3C=Nc4ccccc43)sc2=O)CC1
• InChI: InChI=1S/C20H19N3O5S/c24-17(22-7-5-12(6-8-22)19(26)27)11-23-18(25)16(29-20(23)28)9-13-10-21-15-4-2-1-3-14(13)15/h1-4,9-10,12,25H,5-8,11H2,(H,26,27)
• InChIKey: YZWMDTGKHXOHSH-UHFFFAOYSA-N
• XLogP: 2.20
• TPSA: 112.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.46
LogP ≤ 5	2.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-hydroxy-5-(indol-3-ylidenemethyl)-2-oxo-1,3-thiazol-3-yl]acetyl]piperidine-4-carboxylic acid?

The IUPAC name of 1-[2-[4-hydroxy-5-(indol-3-ylidenemethyl)-2-oxo-1,3-thiazol-3-yl]acetyl]piperidine-4-carboxylic acid (CID 4900555) is 1-[2-[4-hydroxy-5-(indol-3-ylidenemethyl)-2-oxo-1,3-thiazol-3-yl]acetyl]piperidine-4-carboxylic acid.

What is the SMILES notation for 1-[2-[4-hydroxy-5-(indol-3-ylidenemethyl)-2-oxo-1,3-thiazol-3-yl]acetyl]piperidine-4-carboxylic acid?

The canonical SMILES for 1-[2-[4-hydroxy-5-(indol-3-ylidenemethyl)-2-oxo-1,3-thiazol-3-yl]acetyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)Cn2c(O)c(C=C3C=Nc4ccccc43)sc2=O)CC1.

What is the InChIKey of 1-[2-[4-hydroxy-5-(indol-3-ylidenemethyl)-2-oxo-1,3-thiazol-3-yl]acetyl]piperidine-4-carboxylic acid?

The InChIKey is YZWMDTGKHXOHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O5S/c24-17(22-7-5-12(6-8-22)19(26)27)11-23-18(25)16(29-20(23)28)9-13-10-21-15-4-2-1-3-14(13)15/h1-4,9-10,12,25H,5-8,11H2,(H,26,27).

What are the key properties of 1-[2-[4-hydroxy-5-(indol-3-ylidenemethyl)-2-oxo-1,3-thiazol-3-yl]acetyl]piperidine-4-carboxylic acid?

1-[2-[4-hydroxy-5-(indol-3-ylidenemethyl)-2-oxo-1,3-thiazol-3-yl]acetyl]piperidine-4-carboxylic acid has a molecular weight of 413.46 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[4-hydroxy-5-(indol-3-ylidenemethyl)-2-oxo-1,3-thiazol-3-yl]acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 4900555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).