1-oxo-7-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-5-one

C13H11NO2S — CID 3050280

IUPAC1-oxo-7-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-5-one
SMILESO=c1cc(-c2ccccc2)cc2n1CCS2=O
InChIInChI=1S/C13H11NO2S/c15-12-8-11(10-4-2-1-3-5-10)9-13-14(12)6-7-17(13)16/h1-5,8-9H,6-7H2
InChIKeyDUXHHPOFWOFDES-UHFFFAOYSA-N
MW245.30 g/mol
LogP1.64
Rot. Bonds1

About 1-oxo-7-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-5-one

1-oxo-7-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-5-one (PubChem CID 3050280) has the molecular formula C13H11NO2S and a molecular weight of 245.30 g/mol. Its IUPAC name is 1-oxo-7-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-5-one.

Molecular Properties

Compound Name1-oxo-7-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-5-one
PubChem CID3050280
Molecular FormulaC13H11NO2S
Molecular Weight245.30 g/mol
Exact Mass245.05
IUPAC Name1-oxo-7-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-5-one
SMILESO=c1cc(-c2ccccc2)cc2n1CCS2=O
InChIInChI=1S/C13H11NO2S/c15-12-8-11(10-4-2-1-3-5-10)9-13-14(12)6-7-17(13)16/h1-5,8-9H,6-7H2
InChIKeyDUXHHPOFWOFDES-UHFFFAOYSA-N
XLogP1.64
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-oxo-7-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-5-one?
The IUPAC name of 1-oxo-7-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-5-one (CID 3050280) is 1-oxo-7-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-5-one.
What is the SMILES notation for 1-oxo-7-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-5-one?
The canonical SMILES for 1-oxo-7-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-5-one is O=c1cc(-c2ccccc2)cc2n1CCS2=O.
What is the InChIKey of 1-oxo-7-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-5-one?
The InChIKey is DUXHHPOFWOFDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2S/c15-12-8-11(10-4-2-1-3-5-10)9-13-14(12)6-7-17(13)16/h1-5,8-9H,6-7H2.
What are the key properties of 1-oxo-7-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-5-one?
1-oxo-7-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-5-one has a molecular weight of 245.30 g/mol, XLogP of 1.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxo-7-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-5-one is sourced from PubChem (CID 3050280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).