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

C18H14FN3O2S — CID 53247472

IUPAC5-(5-fluoro-3-pyridinyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
SMILESO=C1c2sc(COc3ccccc3)nc2CCN1c1cncc(F)c1
InChIInChI=1S/C18H14FN3O2S/c19-12-8-13(10-20-9-12)22-7-6-15-17(18(22)23)25-16(21-15)11-24-14-4-2-1-3-5-14/h1-5,8-10H,6-7,11H2
InChIKeyZIHPGXWVEQYUAI-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.46
Rot. Bonds4

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

5-(5-fluoro-3-pyridinyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one (PubChem CID 53247472) has the molecular formula C18H14FN3O2S and a molecular weight of 355.39 g/mol. Its IUPAC name is 5-(5-fluoro-3-pyridinyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one.

Molecular Properties

Compound Name5-(5-fluoro-3-pyridinyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
PubChem CID53247472
Molecular FormulaC18H14FN3O2S
Molecular Weight355.39 g/mol
Exact Mass355.08
IUPAC Name5-(5-fluoro-3-pyridinyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
SMILESO=C1c2sc(COc3ccccc3)nc2CCN1c1cncc(F)c1
InChIInChI=1S/C18H14FN3O2S/c19-12-8-13(10-20-9-12)22-7-6-15-17(18(22)23)25-16(21-15)11-24-14-4-2-1-3-5-14/h1-5,8-10H,6-7,11H2
InChIKeyZIHPGXWVEQYUAI-UHFFFAOYSA-N
XLogP3.46
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-3-pyridinyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
The IUPAC name of 5-(5-fluoro-3-pyridinyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one (CID 53247472) is 5-(5-fluoro-3-pyridinyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one.
What is the SMILES notation for 5-(5-fluoro-3-pyridinyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
The canonical SMILES for 5-(5-fluoro-3-pyridinyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one is O=C1c2sc(COc3ccccc3)nc2CCN1c1cncc(F)c1.
What is the InChIKey of 5-(5-fluoro-3-pyridinyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
The InChIKey is ZIHPGXWVEQYUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O2S/c19-12-8-13(10-20-9-12)22-7-6-15-17(18(22)23)25-16(21-15)11-24-14-4-2-1-3-5-14/h1-5,8-10H,6-7,11H2.
What are the key properties of 5-(5-fluoro-3-pyridinyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
5-(5-fluoro-3-pyridinyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one has a molecular weight of 355.39 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-3-pyridinyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one is sourced from PubChem (CID 53247472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).