8-fluoro-9b-(3-fluorophenyl)-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-5-one

C16H11F2NOS — CID 23178247

IUPAC8-fluoro-9b-(3-fluorophenyl)-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-5-one
SMILESO=C1c2ccc(F)cc2C2(c3cccc(F)c3)SCCN12
InChIInChI=1S/C16H11F2NOS/c17-11-3-1-2-10(8-11)16-14-9-12(18)4-5-13(14)15(20)19(16)6-7-21-16/h1-5,8-9H,6-7H2
InChIKeyHPYCVBGVHFVVLX-UHFFFAOYSA-N
MW303.33 g/mol
LogP3.37
Rot. Bonds1

About 8-fluoro-9b-(3-fluorophenyl)-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-5-one

8-fluoro-9b-(3-fluorophenyl)-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-5-one (PubChem CID 23178247) has the molecular formula C16H11F2NOS and a molecular weight of 303.33 g/mol. Its IUPAC name is 8-fluoro-9b-(3-fluorophenyl)-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-5-one.

Molecular Properties

Compound Name8-fluoro-9b-(3-fluorophenyl)-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-5-one
PubChem CID23178247
Molecular FormulaC16H11F2NOS
Molecular Weight303.33 g/mol
Exact Mass303.05
IUPAC Name8-fluoro-9b-(3-fluorophenyl)-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-5-one
SMILESO=C1c2ccc(F)cc2C2(c3cccc(F)c3)SCCN12
InChIInChI=1S/C16H11F2NOS/c17-11-3-1-2-10(8-11)16-14-9-12(18)4-5-13(14)15(20)19(16)6-7-21-16/h1-5,8-9H,6-7H2
InChIKeyHPYCVBGVHFVVLX-UHFFFAOYSA-N
XLogP3.37
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 8-fluoro-9b-(3-fluorophenyl)-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(9bR)-9b-(4-bromophenyl)-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-5-one
CID 15007646
9b-(3-fluorophenyl)-2,3-dihydro-1H-pyrrolo[2,1-a]isoindol-5-one
CID 67917975
5-methylsulfanyl-10b-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-c]quinazoline
CID 23189183
9b-(9H-carbazol-1-yl)-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-5-one
CID 23178276
7-methyl-10b-phenyl-3,6-dihydro-2H-[1,3]thiazolo[3,2-c]quinazolin-5-one
CID 23189181
6-fluoro-2,4,4-trimethyl-3H-isoquinolin-1-one
CID 177485750
(2R)-3-(cyclopentanecarbonyl)-5'-fluoro-1'-[(3-fluorophenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93186578
1'-[(3-fluorophenyl)methyl]-3-(furan-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46016813
1'-ethyl-5'-fluoro-3-propanoylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 24714351
3-(3-fluorophenyl)-3-isocyanatocyclobutan-1-one
CID 115023830
(2R)-3-(3-chlorobenzoyl)-1'-ethyl-5'-fluorospiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93180873
1-[(4-fluorophenyl)methyl]-9b-phenyl-2,3-dihydroimidazo[2,1-a]isoindol-5-one
CID 59025703

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-9b-(3-fluorophenyl)-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-5-one?
The IUPAC name of 8-fluoro-9b-(3-fluorophenyl)-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-5-one (CID 23178247) is 8-fluoro-9b-(3-fluorophenyl)-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-5-one.
What is the SMILES notation for 8-fluoro-9b-(3-fluorophenyl)-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-5-one?
The canonical SMILES for 8-fluoro-9b-(3-fluorophenyl)-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-5-one is O=C1c2ccc(F)cc2C2(c3cccc(F)c3)SCCN12.
What is the InChIKey of 8-fluoro-9b-(3-fluorophenyl)-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-5-one?
The InChIKey is HPYCVBGVHFVVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2NOS/c17-11-3-1-2-10(8-11)16-14-9-12(18)4-5-13(14)15(20)19(16)6-7-21-16/h1-5,8-9H,6-7H2.
What are the key properties of 8-fluoro-9b-(3-fluorophenyl)-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-5-one?
8-fluoro-9b-(3-fluorophenyl)-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-5-one has a molecular weight of 303.33 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-9b-(3-fluorophenyl)-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-5-one is sourced from PubChem (CID 23178247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).