(7R)-2-amino-7-thiophen-2-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one

C10H9N3OS2 — CID 42558595

About (7R)-2-amino-7-thiophen-2-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one

(7R)-2-amino-7-thiophen-2-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one (PubChem CID 42558595) has the molecular formula C10H9N3OS2 and a molecular weight of 251.34 g/mol. Its IUPAC name is (7R)-2-amino-7-thiophen-2-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one.

Molecular Properties

• Compound Name: (7R)-2-amino-7-thiophen-2-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
• PubChem CID: 42558595
• Molecular Formula: C10H9N3OS2
• Molecular Weight: 251.34 g/mol
• Exact Mass: 251.02
• IUPAC Name: (7R)-2-amino-7-thiophen-2-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
• SMILES: Nc1nc2c(s1)[C@@H](c1cccs1)CC(=O)N2
• InChI: InChI=1S/C10H9N3OS2/c11-10-13-9-8(16-10)5(4-7(14)12-9)6-2-1-3-15-6/h1-3,5H,4H2,(H2,11,13)(H,12,14)/t5-/m1/s1
• InChIKey: JRQWSNSGKFDFJA-RXMQYKEDSA-N
• XLogP: 2.26
• TPSA: 68.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 1
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	251.34
LogP ≤ 5	2.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (7R)-2-amino-7-thiophen-2-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?

The IUPAC name of (7R)-2-amino-7-thiophen-2-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one (CID 42558595) is (7R)-2-amino-7-thiophen-2-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one.

What is the SMILES notation for (7R)-2-amino-7-thiophen-2-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?

The canonical SMILES for (7R)-2-amino-7-thiophen-2-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one is Nc1nc2c(s1)[C@@H](c1cccs1)CC(=O)N2.

What is the InChIKey of (7R)-2-amino-7-thiophen-2-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?

The InChIKey is JRQWSNSGKFDFJA-RXMQYKEDSA-N. The full InChI is InChI=1S/C10H9N3OS2/c11-10-13-9-8(16-10)5(4-7(14)12-9)6-2-1-3-15-6/h1-3,5H,4H2,(H2,11,13)(H,12,14)/t5-/m1/s1.

What are the key properties of (7R)-2-amino-7-thiophen-2-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?

(7R)-2-amino-7-thiophen-2-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one has a molecular weight of 251.34 g/mol, XLogP of 2.26, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (7R)-2-amino-7-thiophen-2-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one is sourced from PubChem (CID 42558595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).