(4S)-2-(5-bromo-3-methyltriazol-4-yl)-1,3-thiazolidine-4-carboxylic acid

C₇H₉BrN₄O₂S — CID 130586615

About (4S)-2-(5-bromo-3-methyltriazol-4-yl)-1,3-thiazolidine-4-carboxylic acid

(4S)-2-(5-bromo-3-methyltriazol-4-yl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 130586615) has the molecular formula C₇H₉BrN₄O₂S and a molecular weight of 293.15 g/mol. Its IUPAC name is (4S)-2-(5-bromo-3-methyltriazol-4-yl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

• Compound Name: (4S)-2-(5-bromo-3-methyltriazol-4-yl)-1,3-thiazolidine-4-carboxylic acid
• PubChem CID: 130586615
• Molecular Formula: C₇H₉BrN₄O₂S
• Molecular Weight: 293.15 g/mol
• Exact Mass: 291.96
• IUPAC Name: (4S)-2-(5-bromo-3-methyltriazol-4-yl)-1,3-thiazolidine-4-carboxylic acid
• SMILES: Cn1nnc(Br)c1C1N[C@@H](C(=O)O)CS1
• InChI: InChI=1S/C7H9BrN4O2S/c1-12-4(5(8)10-11-12)6-9-3(2-15-6)7(13)14/h3,6,9H,2H2,1H3,(H,13,14)/t3-,6?/m1/s1
• InChIKey: AGQRAZPHXOWEOB-HODUVHNASA-N
• XLogP: 0.37
• TPSA: 80.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	293.15
LogP ≤ 5	0.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (4S)-2-(5-bromo-3-methyltriazol-4-yl)-1,3-thiazolidine-4-carboxylic acid?

The IUPAC name of (4S)-2-(5-bromo-3-methyltriazol-4-yl)-1,3-thiazolidine-4-carboxylic acid (CID 130586615) is (4S)-2-(5-bromo-3-methyltriazol-4-yl)-1,3-thiazolidine-4-carboxylic acid.

What is the SMILES notation for (4S)-2-(5-bromo-3-methyltriazol-4-yl)-1,3-thiazolidine-4-carboxylic acid?

The canonical SMILES for (4S)-2-(5-bromo-3-methyltriazol-4-yl)-1,3-thiazolidine-4-carboxylic acid is Cn1nnc(Br)c1C1N[C@@H](C(=O)O)CS1.

What is the InChIKey of (4S)-2-(5-bromo-3-methyltriazol-4-yl)-1,3-thiazolidine-4-carboxylic acid?

The InChIKey is AGQRAZPHXOWEOB-HODUVHNASA-N. The full InChI is InChI=1S/C7H9BrN4O2S/c1-12-4(5(8)10-11-12)6-9-3(2-15-6)7(13)14/h3,6,9H,2H2,1H3,(H,13,14)/t3-,6?/m1/s1.

What are the key properties of (4S)-2-(5-bromo-3-methyltriazol-4-yl)-1,3-thiazolidine-4-carboxylic acid?

(4S)-2-(5-bromo-3-methyltriazol-4-yl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 293.15 g/mol, XLogP of 0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-2-(5-bromo-3-methyltriazol-4-yl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 130586615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 130586615 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.