8-(4-fluorophenyl)-7-(naphthalen-1-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-5-one

C24H18FNOS — CID 11773619

IUPAC8-(4-fluorophenyl)-7-(naphthalen-1-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-5-one
SMILESO=c1cc(Cc2cccc3ccccc23)c(-c2ccc(F)cc2)c2n1CCS2
InChIInChI=1S/C24H18FNOS/c25-20-10-8-17(9-11-20)23-19(15-22(27)26-12-13-28-24(23)26)14-18-6-3-5-16-4-1-2-7-21(16)18/h1-11,15H,12-14H2
InChIKeyAECVXCINFNPIEJ-UHFFFAOYSA-N
MW387.48 g/mol
LogP5.50
Rot. Bonds3

About 8-(4-fluorophenyl)-7-(naphthalen-1-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-5-one

8-(4-fluorophenyl)-7-(naphthalen-1-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-5-one (PubChem CID 11773619) has the molecular formula C24H18FNOS and a molecular weight of 387.48 g/mol. Its IUPAC name is 8-(4-fluorophenyl)-7-(naphthalen-1-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-5-one.

Molecular Properties

Compound Name8-(4-fluorophenyl)-7-(naphthalen-1-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-5-one
PubChem CID11773619
Molecular FormulaC24H18FNOS
Molecular Weight387.48 g/mol
Exact Mass387.11
IUPAC Name8-(4-fluorophenyl)-7-(naphthalen-1-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-5-one
SMILESO=c1cc(Cc2cccc3ccccc23)c(-c2ccc(F)cc2)c2n1CCS2
InChIInChI=1S/C24H18FNOS/c25-20-10-8-17(9-11-20)23-19(15-22(27)26-12-13-28-24(23)26)14-18-6-3-5-16-4-1-2-7-21(16)18/h1-11,15H,12-14H2
InChIKeyAECVXCINFNPIEJ-UHFFFAOYSA-N
XLogP5.50
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.48
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(4-fluorophenyl)-7-(naphthalen-1-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-5-one?
The IUPAC name of 8-(4-fluorophenyl)-7-(naphthalen-1-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-5-one (CID 11773619) is 8-(4-fluorophenyl)-7-(naphthalen-1-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-5-one.
What is the SMILES notation for 8-(4-fluorophenyl)-7-(naphthalen-1-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-5-one?
The canonical SMILES for 8-(4-fluorophenyl)-7-(naphthalen-1-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-5-one is O=c1cc(Cc2cccc3ccccc23)c(-c2ccc(F)cc2)c2n1CCS2.
What is the InChIKey of 8-(4-fluorophenyl)-7-(naphthalen-1-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-5-one?
The InChIKey is AECVXCINFNPIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FNOS/c25-20-10-8-17(9-11-20)23-19(15-22(27)26-12-13-28-24(23)26)14-18-6-3-5-16-4-1-2-7-21(16)18/h1-11,15H,12-14H2.
What are the key properties of 8-(4-fluorophenyl)-7-(naphthalen-1-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-5-one?
8-(4-fluorophenyl)-7-(naphthalen-1-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-5-one has a molecular weight of 387.48 g/mol, XLogP of 5.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-fluorophenyl)-7-(naphthalen-1-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-5-one is sourced from PubChem (CID 11773619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).