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

C19H14F2N2O2S — CID 53246971

IUPAC2-[(3-fluorophenoxy)methyl]-5-(4-fluorophenyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
SMILESO=C1c2sc(COc3cccc(F)c3)nc2CCN1c1ccc(F)cc1
InChIInChI=1S/C19H14F2N2O2S/c20-12-4-6-14(7-5-12)23-9-8-16-18(19(23)24)26-17(22-16)11-25-15-3-1-2-13(21)10-15/h1-7,10H,8-9,11H2
InChIKeyGNTHMLNKEUQGGZ-UHFFFAOYSA-N
MW372.40 g/mol
LogP4.20
Rot. Bonds4

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

2-[(3-fluorophenoxy)methyl]-5-(4-fluorophenyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one (PubChem CID 53246971) has the molecular formula C19H14F2N2O2S and a molecular weight of 372.40 g/mol. Its IUPAC name is 2-[(3-fluorophenoxy)methyl]-5-(4-fluorophenyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one.

Molecular Properties

Compound Name2-[(3-fluorophenoxy)methyl]-5-(4-fluorophenyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
PubChem CID53246971
Molecular FormulaC19H14F2N2O2S
Molecular Weight372.40 g/mol
Exact Mass372.07
IUPAC Name2-[(3-fluorophenoxy)methyl]-5-(4-fluorophenyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
SMILESO=C1c2sc(COc3cccc(F)c3)nc2CCN1c1ccc(F)cc1
InChIInChI=1S/C19H14F2N2O2S/c20-12-4-6-14(7-5-12)23-9-8-16-18(19(23)24)26-17(22-16)11-25-15-3-1-2-13(21)10-15/h1-7,10H,8-9,11H2
InChIKeyGNTHMLNKEUQGGZ-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

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenoxy)methyl]-5-(4-fluorophenyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
The IUPAC name of 2-[(3-fluorophenoxy)methyl]-5-(4-fluorophenyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one (CID 53246971) is 2-[(3-fluorophenoxy)methyl]-5-(4-fluorophenyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one.
What is the SMILES notation for 2-[(3-fluorophenoxy)methyl]-5-(4-fluorophenyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
The canonical SMILES for 2-[(3-fluorophenoxy)methyl]-5-(4-fluorophenyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one is O=C1c2sc(COc3cccc(F)c3)nc2CCN1c1ccc(F)cc1.
What is the InChIKey of 2-[(3-fluorophenoxy)methyl]-5-(4-fluorophenyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
The InChIKey is GNTHMLNKEUQGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N2O2S/c20-12-4-6-14(7-5-12)23-9-8-16-18(19(23)24)26-17(22-16)11-25-15-3-1-2-13(21)10-15/h1-7,10H,8-9,11H2.
What are the key properties of 2-[(3-fluorophenoxy)methyl]-5-(4-fluorophenyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
2-[(3-fluorophenoxy)methyl]-5-(4-fluorophenyl)-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 2-[(3-fluorophenoxy)methyl]-5-(4-fluorophenyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one is sourced from PubChem (CID 53246971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).