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

C19H15FN2O2S — CID 53246607

IUPAC5-(4-fluorophenyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
SMILESO=C1c2sc(COc3ccccc3)nc2CCN1c1ccc(F)cc1
InChIInChI=1S/C19H15FN2O2S/c20-13-6-8-14(9-7-13)22-11-10-16-18(19(22)23)25-17(21-16)12-24-15-4-2-1-3-5-15/h1-9H,10-12H2
InChIKeyWGPTWSWAWPQOGX-UHFFFAOYSA-N
MW354.41 g/mol
LogP4.06
Rot. Bonds4

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

5-(4-fluorophenyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one (PubChem CID 53246607) has the molecular formula C19H15FN2O2S and a molecular weight of 354.41 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
PubChem CID53246607
Molecular FormulaC19H15FN2O2S
Molecular Weight354.41 g/mol
Exact Mass354.08
IUPAC Name5-(4-fluorophenyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
SMILESO=C1c2sc(COc3ccccc3)nc2CCN1c1ccc(F)cc1
InChIInChI=1S/C19H15FN2O2S/c20-13-6-8-14(9-7-13)22-11-10-16-18(19(22)23)25-17(21-16)12-24-15-4-2-1-3-5-15/h1-9H,10-12H2
InChIKeyWGPTWSWAWPQOGX-UHFFFAOYSA-N
XLogP4.06
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
The IUPAC name of 5-(4-fluorophenyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one (CID 53246607) is 5-(4-fluorophenyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one.
What is the SMILES notation for 5-(4-fluorophenyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
The canonical SMILES for 5-(4-fluorophenyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one is O=C1c2sc(COc3ccccc3)nc2CCN1c1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
The InChIKey is WGPTWSWAWPQOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O2S/c20-13-6-8-14(9-7-13)22-11-10-16-18(19(22)23)25-17(21-16)12-24-15-4-2-1-3-5-15/h1-9H,10-12H2.
What are the key properties of 5-(4-fluorophenyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
5-(4-fluorophenyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one has a molecular weight of 354.41 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one is sourced from PubChem (CID 53246607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).