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

C12H9ClFN3OS — CID 42654850

IUPAC2-amino-7-(5-chloro-2-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
SMILESNc1nc2c(s1)C(c1cc(Cl)ccc1F)CC(=O)N2
InChIInChI=1S/C12H9ClFN3OS/c13-5-1-2-8(14)6(3-5)7-4-9(18)16-11-10(7)19-12(15)17-11/h1-3,7H,4H2,(H2,15,17)(H,16,18)
InChIKeyLUMRRSNNRXENJE-UHFFFAOYSA-N
MW297.74 g/mol
LogP2.99
Rot. Bonds1

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

2-amino-7-(5-chloro-2-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one (PubChem CID 42654850) has the molecular formula C12H9ClFN3OS and a molecular weight of 297.74 g/mol. Its IUPAC name is 2-amino-7-(5-chloro-2-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one.

Molecular Properties

Compound Name2-amino-7-(5-chloro-2-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
PubChem CID42654850
Molecular FormulaC12H9ClFN3OS
Molecular Weight297.74 g/mol
Exact Mass297.01
IUPAC Name2-amino-7-(5-chloro-2-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
SMILESNc1nc2c(s1)C(c1cc(Cl)ccc1F)CC(=O)N2
InChIInChI=1S/C12H9ClFN3OS/c13-5-1-2-8(14)6(3-5)7-4-9(18)16-11-10(7)19-12(15)17-11/h1-3,7H,4H2,(H2,15,17)(H,16,18)
InChIKeyLUMRRSNNRXENJE-UHFFFAOYSA-N
XLogP2.99
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-(5-chloro-2-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
The IUPAC name of 2-amino-7-(5-chloro-2-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one (CID 42654850) is 2-amino-7-(5-chloro-2-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one.
What is the SMILES notation for 2-amino-7-(5-chloro-2-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
The canonical SMILES for 2-amino-7-(5-chloro-2-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one is Nc1nc2c(s1)C(c1cc(Cl)ccc1F)CC(=O)N2.
What is the InChIKey of 2-amino-7-(5-chloro-2-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
The InChIKey is LUMRRSNNRXENJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFN3OS/c13-5-1-2-8(14)6(3-5)7-4-9(18)16-11-10(7)19-12(15)17-11/h1-3,7H,4H2,(H2,15,17)(H,16,18).
What are the key properties of 2-amino-7-(5-chloro-2-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
2-amino-7-(5-chloro-2-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one has a molecular weight of 297.74 g/mol, XLogP of 2.99, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-(5-chloro-2-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one is sourced from PubChem (CID 42654850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).