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

C12H9Cl2N3OS — CID 39336852

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

(7R)-2-amino-7-(2,3-dichlorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one (PubChem CID 39336852) has the molecular formula C12H9Cl2N3OS and a molecular weight of 314.20 g/mol. Its IUPAC name is (7R)-2-amino-7-(2,3-dichlorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one.

Molecular Properties

• Compound Name: (7R)-2-amino-7-(2,3-dichlorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
• PubChem CID: 39336852
• Molecular Formula: C12H9Cl2N3OS
• Molecular Weight: 314.20 g/mol
• Exact Mass: 312.98
• IUPAC Name: (7R)-2-amino-7-(2,3-dichlorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
• SMILES: Nc1nc2c(s1)[C@@H](c1cccc(Cl)c1Cl)CC(=O)N2
• InChI: InChI=1S/C12H9Cl2N3OS/c13-7-3-1-2-5(9(7)14)6-4-8(18)16-11-10(6)19-12(15)17-11/h1-3,6H,4H2,(H2,15,17)(H,16,18)/t6-/m1/s1
• InChIKey: AHXWNPJGBOUFRC-ZCFIWIBFSA-N
• XLogP: 3.51
• TPSA: 68.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 1
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	314.20
LogP ≤ 5	3.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of (7R)-2-amino-7-(2,3-dichlorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one (CID 39336852) is (7R)-2-amino-7-(2,3-dichlorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one.

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

The canonical SMILES for (7R)-2-amino-7-(2,3-dichlorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one is Nc1nc2c(s1)[C@@H](c1cccc(Cl)c1Cl)CC(=O)N2.

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

The InChIKey is AHXWNPJGBOUFRC-ZCFIWIBFSA-N. The full InChI is InChI=1S/C12H9Cl2N3OS/c13-7-3-1-2-5(9(7)14)6-4-8(18)16-11-10(6)19-12(15)17-11/h1-3,6H,4H2,(H2,15,17)(H,16,18)/t6-/m1/s1.

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

(7R)-2-amino-7-(2,3-dichlorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one has a molecular weight of 314.20 g/mol, XLogP of 3.51, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (7R)-2-amino-7-(2,3-dichlorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one is sourced from PubChem (CID 39336852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).