4-amino-3-(2-methylpropylcarbamoyl)-1,2-thiazole-5-carboxylic acid

C₉H₁₃N₃O₃S — CID 50743431

About 4-amino-3-(2-methylpropylcarbamoyl)-1,2-thiazole-5-carboxylic acid

4-amino-3-(2-methylpropylcarbamoyl)-1,2-thiazole-5-carboxylic acid (PubChem CID 50743431) has the molecular formula C₉H₁₃N₃O₃S and a molecular weight of 243.29 g/mol. Its IUPAC name is 4-amino-3-(2-methylpropylcarbamoyl)-1,2-thiazole-5-carboxylic acid.

Molecular Properties

• Compound Name: 4-amino-3-(2-methylpropylcarbamoyl)-1,2-thiazole-5-carboxylic acid
• PubChem CID: 50743431
• Molecular Formula: C₉H₁₃N₃O₃S
• Molecular Weight: 243.29 g/mol
• Exact Mass: 243.07
• IUPAC Name: 4-amino-3-(2-methylpropylcarbamoyl)-1,2-thiazole-5-carboxylic acid
• SMILES: CC(C)CNC(=O)c1nsc(C(=O)O)c1N
• InChI: InChI=1S/C9H13N3O3S/c1-4(2)3-11-8(13)6-5(10)7(9(14)15)16-12-6/h4H,3,10H2,1-2H3,(H,11,13)(H,14,15)
• InChIKey: YEKNWYBDIAKLLJ-UHFFFAOYSA-N
• XLogP: 0.81
• TPSA: 105.31 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	243.29
LogP ≤ 5	0.81
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(2-methylpropylcarbamoyl)-1,2-thiazole-5-carboxylic acid?

The IUPAC name of 4-amino-3-(2-methylpropylcarbamoyl)-1,2-thiazole-5-carboxylic acid (CID 50743431) is 4-amino-3-(2-methylpropylcarbamoyl)-1,2-thiazole-5-carboxylic acid.

What is the SMILES notation for 4-amino-3-(2-methylpropylcarbamoyl)-1,2-thiazole-5-carboxylic acid?

The canonical SMILES for 4-amino-3-(2-methylpropylcarbamoyl)-1,2-thiazole-5-carboxylic acid is CC(C)CNC(=O)c1nsc(C(=O)O)c1N.

What is the InChIKey of 4-amino-3-(2-methylpropylcarbamoyl)-1,2-thiazole-5-carboxylic acid?

The InChIKey is YEKNWYBDIAKLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3S/c1-4(2)3-11-8(13)6-5(10)7(9(14)15)16-12-6/h4H,3,10H2,1-2H3,(H,11,13)(H,14,15).

What are the key properties of 4-amino-3-(2-methylpropylcarbamoyl)-1,2-thiazole-5-carboxylic acid?

4-amino-3-(2-methylpropylcarbamoyl)-1,2-thiazole-5-carboxylic acid has a molecular weight of 243.29 g/mol, XLogP of 0.81, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-3-(2-methylpropylcarbamoyl)-1,2-thiazole-5-carboxylic acid is sourced from PubChem (CID 50743431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 50743431 — identifiers, structure, computed properties (public domain)

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