3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one

C16H17NO2S — CID 63312250

IUPAC3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one
SMILESCc1sc(=O)n(CC(=O)c2ccc3c(c2)CCC3)c1C
InChIInChI=1S/C16H17NO2S/c1-10-11(2)20-16(19)17(10)9-15(18)14-7-6-12-4-3-5-13(12)8-14/h6-8H,3-5,9H2,1-2H3
InChIKeyLESRVFQROSTDLR-UHFFFAOYSA-N
MW287.38 g/mol
LogP2.90
Rot. Bonds3

About 3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one

3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one (PubChem CID 63312250) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is 3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one
PubChem CID63312250
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC Name3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one
SMILESCc1sc(=O)n(CC(=O)c2ccc3c(c2)CCC3)c1C
InChIInChI=1S/C16H17NO2S/c1-10-11(2)20-16(19)17(10)9-15(18)14-7-6-12-4-3-5-13(12)8-14/h6-8H,3-5,9H2,1-2H3
InChIKeyLESRVFQROSTDLR-UHFFFAOYSA-N
XLogP2.90
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one with MolForge

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Related Compounds

1-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-3,5-dimethyl-1,3,5-triazinane-2,4,6-trione
CID 91962402
3-[2-(4-ethoxyphenyl)-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one
CID 63312478
1-(2,3-dihydro-1H-inden-5-yl)-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanone
CID 61238347
2-(4-ethylpiperazin-1-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 93191615
1-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-3-methylquinazoline-2,4-dione
CID 91962397
1-ethyl-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]imidazolidine-2,4,5-trione
CID 7824027
1-methyl-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]imidazolidine-2,4,5-trione
CID 8002233
2-methylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 116830081
1-(2,3-dihydro-1H-inden-5-yl)-3-methylbutan-1-one
CID 43161092
2-(4-acetylpiperazin-1-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 110368694
1-butyl-3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]imidazolidine-2,4,5-trione
CID 7738283
1-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-N-methyl-6-oxopyridine-3-carboxamide
CID 47505612

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one?
The IUPAC name of 3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one (CID 63312250) is 3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one?
The canonical SMILES for 3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one is Cc1sc(=O)n(CC(=O)c2ccc3c(c2)CCC3)c1C.
What is the InChIKey of 3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one?
The InChIKey is LESRVFQROSTDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S/c1-10-11(2)20-16(19)17(10)9-15(18)14-7-6-12-4-3-5-13(12)8-14/h6-8H,3-5,9H2,1-2H3.
What are the key properties of 3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one?
3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one has a molecular weight of 287.38 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one is sourced from PubChem (CID 63312250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).