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

C13H11ClFN3OS — CID 51054319

IUPAC7-(2-chloro-4-fluorophenyl)-2-(methylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
SMILESCNc1nc2c(s1)C(c1ccc(F)cc1Cl)CC(=O)N2
InChIInChI=1S/C13H11ClFN3OS/c1-16-13-18-12-11(20-13)8(5-10(19)17-12)7-3-2-6(15)4-9(7)14/h2-4,8H,5H2,1H3,(H,16,18)(H,17,19)
InChIKeyXJXFFZRSFAORDR-UHFFFAOYSA-N
MW311.77 g/mol
LogP3.45
Rot. Bonds2

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

7-(2-chloro-4-fluorophenyl)-2-(methylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one (PubChem CID 51054319) has the molecular formula C13H11ClFN3OS and a molecular weight of 311.77 g/mol. Its IUPAC name is 7-(2-chloro-4-fluorophenyl)-2-(methylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one.

Molecular Properties

Compound Name7-(2-chloro-4-fluorophenyl)-2-(methylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
PubChem CID51054319
Molecular FormulaC13H11ClFN3OS
Molecular Weight311.77 g/mol
Exact Mass311.03
IUPAC Name7-(2-chloro-4-fluorophenyl)-2-(methylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
SMILESCNc1nc2c(s1)C(c1ccc(F)cc1Cl)CC(=O)N2
InChIInChI=1S/C13H11ClFN3OS/c1-16-13-18-12-11(20-13)8(5-10(19)17-12)7-3-2-6(15)4-9(7)14/h2-4,8H,5H2,1H3,(H,16,18)(H,17,19)
InChIKeyXJXFFZRSFAORDR-UHFFFAOYSA-N
XLogP3.45
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(2-chloro-4-fluorophenyl)-2-(methylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
The IUPAC name of 7-(2-chloro-4-fluorophenyl)-2-(methylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one (CID 51054319) is 7-(2-chloro-4-fluorophenyl)-2-(methylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one.
What is the SMILES notation for 7-(2-chloro-4-fluorophenyl)-2-(methylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
The canonical SMILES for 7-(2-chloro-4-fluorophenyl)-2-(methylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one is CNc1nc2c(s1)C(c1ccc(F)cc1Cl)CC(=O)N2.
What is the InChIKey of 7-(2-chloro-4-fluorophenyl)-2-(methylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
The InChIKey is XJXFFZRSFAORDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFN3OS/c1-16-13-18-12-11(20-13)8(5-10(19)17-12)7-3-2-6(15)4-9(7)14/h2-4,8H,5H2,1H3,(H,16,18)(H,17,19).
What are the key properties of 7-(2-chloro-4-fluorophenyl)-2-(methylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
7-(2-chloro-4-fluorophenyl)-2-(methylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one has a molecular weight of 311.77 g/mol, XLogP of 3.45, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-chloro-4-fluorophenyl)-2-(methylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one is sourced from PubChem (CID 51054319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).