5-(2,4-difluorophenyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one

C19H14F2N2O2S — CID 53246975

IUPAC5-(2,4-difluorophenyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
SMILESO=C1c2sc(COc3ccccc3)nc2CCN1c1ccc(F)cc1F
InChIInChI=1S/C19H14F2N2O2S/c20-12-6-7-16(14(21)10-12)23-9-8-15-18(19(23)24)26-17(22-15)11-25-13-4-2-1-3-5-13/h1-7,10H,8-9,11H2
InChIKeyJKEBAKOBVOSNMX-UHFFFAOYSA-N
MW372.40 g/mol
LogP4.20
Rot. Bonds4

About 5-(2,4-difluorophenyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one

5-(2,4-difluorophenyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one (PubChem CID 53246975) has the molecular formula C19H14F2N2O2S and a molecular weight of 372.40 g/mol. Its IUPAC name is 5-(2,4-difluorophenyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one.

Molecular Properties

Compound Name5-(2,4-difluorophenyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
PubChem CID53246975
Molecular FormulaC19H14F2N2O2S
Molecular Weight372.40 g/mol
Exact Mass372.07
IUPAC Name5-(2,4-difluorophenyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
SMILESO=C1c2sc(COc3ccccc3)nc2CCN1c1ccc(F)cc1F
InChIInChI=1S/C19H14F2N2O2S/c20-12-6-7-16(14(21)10-12)23-9-8-15-18(19(23)24)26-17(22-15)11-25-13-4-2-1-3-5-13/h1-7,10H,8-9,11H2
InChIKeyJKEBAKOBVOSNMX-UHFFFAOYSA-N
XLogP4.20
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(2,4-difluorophenyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluorophenyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
The IUPAC name of 5-(2,4-difluorophenyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one (CID 53246975) is 5-(2,4-difluorophenyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one.
What is the SMILES notation for 5-(2,4-difluorophenyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
The canonical SMILES for 5-(2,4-difluorophenyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one is O=C1c2sc(COc3ccccc3)nc2CCN1c1ccc(F)cc1F.
What is the InChIKey of 5-(2,4-difluorophenyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
The InChIKey is JKEBAKOBVOSNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N2O2S/c20-12-6-7-16(14(21)10-12)23-9-8-15-18(19(23)24)26-17(22-15)11-25-13-4-2-1-3-5-13/h1-7,10H,8-9,11H2.
What are the key properties of 5-(2,4-difluorophenyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
5-(2,4-difluorophenyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one has a molecular weight of 372.40 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluorophenyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one is sourced from PubChem (CID 53246975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).