2-[4-[(7S)-2-(methylamino)-5-oxo-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-7-yl]phenoxy]acetamide

C15H16N4O3S — CID 52900328

About 2-[4-[(7S)-2-(methylamino)-5-oxo-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-7-yl]phenoxy]acetamide

2-[4-[(7S)-2-(methylamino)-5-oxo-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-7-yl]phenoxy]acetamide (PubChem CID 52900328) has the molecular formula C15H16N4O3S and a molecular weight of 332.39 g/mol. Its IUPAC name is 2-[4-[(7S)-2-(methylamino)-5-oxo-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-7-yl]phenoxy]acetamide.

Molecular Properties

• Compound Name: 2-[4-[(7S)-2-(methylamino)-5-oxo-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-7-yl]phenoxy]acetamide
• PubChem CID: 52900328
• Molecular Formula: C15H16N4O3S
• Molecular Weight: 332.39 g/mol
• Exact Mass: 332.09
• IUPAC Name: 2-[4-[(7S)-2-(methylamino)-5-oxo-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-7-yl]phenoxy]acetamide
• SMILES: CNc1nc2c(s1)[C@H](c1ccc(OCC(N)=O)cc1)CC(=O)N2
• InChI: InChI=1S/C15H16N4O3S/c1-17-15-19-14-13(23-15)10(6-12(21)18-14)8-2-4-9(5-3-8)22-7-11(16)20/h2-5,10H,6-7H2,1H3,(H2,16,20)(H,17,19)(H,18,21)/t10-/m0/s1
• InChIKey: AJBBIWPSBBCIPA-JTQLQIEISA-N
• XLogP: 1.52
• TPSA: 106.34 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	332.39
LogP ≤ 5	1.52
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(7S)-2-(methylamino)-5-oxo-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-7-yl]phenoxy]acetamide?

The IUPAC name of 2-[4-[(7S)-2-(methylamino)-5-oxo-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-7-yl]phenoxy]acetamide (CID 52900328) is 2-[4-[(7S)-2-(methylamino)-5-oxo-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-7-yl]phenoxy]acetamide.

What is the SMILES notation for 2-[4-[(7S)-2-(methylamino)-5-oxo-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-7-yl]phenoxy]acetamide?

The canonical SMILES for 2-[4-[(7S)-2-(methylamino)-5-oxo-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-7-yl]phenoxy]acetamide is CNc1nc2c(s1)[C@H](c1ccc(OCC(N)=O)cc1)CC(=O)N2.

What is the InChIKey of 2-[4-[(7S)-2-(methylamino)-5-oxo-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-7-yl]phenoxy]acetamide?

The InChIKey is AJBBIWPSBBCIPA-JTQLQIEISA-N. The full InChI is InChI=1S/C15H16N4O3S/c1-17-15-19-14-13(23-15)10(6-12(21)18-14)8-2-4-9(5-3-8)22-7-11(16)20/h2-5,10H,6-7H2,1H3,(H2,16,20)(H,17,19)(H,18,21)/t10-/m0/s1.

What are the key properties of 2-[4-[(7S)-2-(methylamino)-5-oxo-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-7-yl]phenoxy]acetamide?

2-[4-[(7S)-2-(methylamino)-5-oxo-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-7-yl]phenoxy]acetamide has a molecular weight of 332.39 g/mol, XLogP of 1.52, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[(7S)-2-(methylamino)-5-oxo-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-7-yl]phenoxy]acetamide is sourced from PubChem (CID 52900328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).