2-[(7-hydroxy-2-phenyl-[1,3]thiazolo[4,5-c]pyridine-6-carbonyl)amino]acetic acid

C15H11N3O4S — CID 24756983

About 2-[(7-hydroxy-2-phenyl-[1,3]thiazolo[4,5-c]pyridine-6-carbonyl)amino]acetic acid

2-[(7-hydroxy-2-phenyl-[1,3]thiazolo[4,5-c]pyridine-6-carbonyl)amino]acetic acid (PubChem CID 24756983) has the molecular formula C15H11N3O4S and a molecular weight of 329.34 g/mol. Its IUPAC name is 2-[(7-hydroxy-2-phenyl-[1,3]thiazolo[4,5-c]pyridine-6-carbonyl)amino]acetic acid.

Molecular Properties

• Compound Name: 2-[(7-hydroxy-2-phenyl-[1,3]thiazolo[4,5-c]pyridine-6-carbonyl)amino]acetic acid
• PubChem CID: 24756983
• Molecular Formula: C15H11N3O4S
• Molecular Weight: 329.34 g/mol
• Exact Mass: 329.05
• IUPAC Name: 2-[(7-hydroxy-2-phenyl-[1,3]thiazolo[4,5-c]pyridine-6-carbonyl)amino]acetic acid
• SMILES: O=C(O)CNC(=O)c1ncc2nc(-c3ccccc3)sc2c1O
• InChI: InChI=1S/C15H11N3O4S/c19-10(20)7-17-14(22)11-12(21)13-9(6-16-11)18-15(23-13)8-4-2-1-3-5-8/h1-6,21H,7H2,(H,17,22)(H,19,20)
• InChIKey: CJJNUNZJFJUBJM-UHFFFAOYSA-N
• XLogP: 1.88
• TPSA: 112.41 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	329.34
LogP ≤ 5	1.88
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[(7-hydroxy-2-phenyl-[1,3]thiazolo[4,5-c]pyridine-6-carbonyl)amino]acetic acid?

The IUPAC name of 2-[(7-hydroxy-2-phenyl-[1,3]thiazolo[4,5-c]pyridine-6-carbonyl)amino]acetic acid (CID 24756983) is 2-[(7-hydroxy-2-phenyl-[1,3]thiazolo[4,5-c]pyridine-6-carbonyl)amino]acetic acid.

What is the SMILES notation for 2-[(7-hydroxy-2-phenyl-[1,3]thiazolo[4,5-c]pyridine-6-carbonyl)amino]acetic acid?

The canonical SMILES for 2-[(7-hydroxy-2-phenyl-[1,3]thiazolo[4,5-c]pyridine-6-carbonyl)amino]acetic acid is O=C(O)CNC(=O)c1ncc2nc(-c3ccccc3)sc2c1O.

What is the InChIKey of 2-[(7-hydroxy-2-phenyl-[1,3]thiazolo[4,5-c]pyridine-6-carbonyl)amino]acetic acid?

The InChIKey is CJJNUNZJFJUBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O4S/c19-10(20)7-17-14(22)11-12(21)13-9(6-16-11)18-15(23-13)8-4-2-1-3-5-8/h1-6,21H,7H2,(H,17,22)(H,19,20).

What are the key properties of 2-[(7-hydroxy-2-phenyl-[1,3]thiazolo[4,5-c]pyridine-6-carbonyl)amino]acetic acid?

2-[(7-hydroxy-2-phenyl-[1,3]thiazolo[4,5-c]pyridine-6-carbonyl)amino]acetic acid has a molecular weight of 329.34 g/mol, XLogP of 1.88, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(7-hydroxy-2-phenyl-[1,3]thiazolo[4,5-c]pyridine-6-carbonyl)amino]acetic acid is sourced from PubChem (CID 24756983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).