1-[6-fluoro-1-(oxolan-3-ylmethyl)indol-3-yl]-2-(1,3-thiazol-2-yl)ethanone

C18H17FN2O2S — CID 58217432

IUPAC1-[6-fluoro-1-(oxolan-3-ylmethyl)indol-3-yl]-2-(1,3-thiazol-2-yl)ethanone
SMILESO=C(Cc1nccs1)c1cn(CC2CCOC2)c2cc(F)ccc12
InChIInChI=1S/C18H17FN2O2S/c19-13-1-2-14-15(17(22)8-18-20-4-6-24-18)10-21(16(14)7-13)9-12-3-5-23-11-12/h1-2,4,6-7,10,12H,3,5,8-9,11H2
InChIKeyCQQYHYKHOYUUEM-UHFFFAOYSA-N
MW344.41 g/mol
LogP3.70
Rot. Bonds5

About 1-[6-fluoro-1-(oxolan-3-ylmethyl)indol-3-yl]-2-(1,3-thiazol-2-yl)ethanone

1-[6-fluoro-1-(oxolan-3-ylmethyl)indol-3-yl]-2-(1,3-thiazol-2-yl)ethanone (PubChem CID 58217432) has the molecular formula C18H17FN2O2S and a molecular weight of 344.41 g/mol. Its IUPAC name is 1-[6-fluoro-1-(oxolan-3-ylmethyl)indol-3-yl]-2-(1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name1-[6-fluoro-1-(oxolan-3-ylmethyl)indol-3-yl]-2-(1,3-thiazol-2-yl)ethanone
PubChem CID58217432
Molecular FormulaC18H17FN2O2S
Molecular Weight344.41 g/mol
Exact Mass344.10
IUPAC Name1-[6-fluoro-1-(oxolan-3-ylmethyl)indol-3-yl]-2-(1,3-thiazol-2-yl)ethanone
SMILESO=C(Cc1nccs1)c1cn(CC2CCOC2)c2cc(F)ccc12
InChIInChI=1S/C18H17FN2O2S/c19-13-1-2-14-15(17(22)8-18-20-4-6-24-18)10-21(16(14)7-13)9-12-3-5-23-11-12/h1-2,4,6-7,10,12H,3,5,8-9,11H2
InChIKeyCQQYHYKHOYUUEM-UHFFFAOYSA-N
XLogP3.70
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Indothiazinone
CID 69252541
(2,2,3,3-Ttetramethylcyclopropyl)(1-(2-(thiophen-3-yl)ethyl)-1H-indol-3-yl)methanone
CID 11610001
(1-(2-(4-Methylthiazol-5-yl)ethyl)-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone
CID 11660635
(2,2,3,3-Tetramethylcyclopropyl)(1-(2-(thiophen-2-yl)ethyl)-1H-indol-3-yl)methanone
CID 11688907
ethyl [3-(2-thienylcarbonyl)-1H-indol-1-yl]acetate
CID 963211
1-(1-Benzylindol-3-yl)-2-thiophen-2-ylethane-1,2-dione
CID 73350968
(1-ethyl-1H-indol-3-yl)(2-thienyl)methanone
CID 1241971
[1-(2-Methoxyethyl)indol-3-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 71886142
(1-Prop-2-enylindol-3-yl)-(1,3-thiazol-2-yl)methanone
CID 168268999
1-[3-(1,3-Thiazole-2-carbonyl)indol-1-yl]ethanone
CID 168279024
Phenyl-[3-(1,3-thiazole-2-carbonyl)indol-1-yl]methanone
CID 168282165
(1-Methylindol-3-yl)-(1,3-thiazol-2-yl)methanone
CID 168283088

Frequently Asked Questions

What is the IUPAC name of 1-[6-fluoro-1-(oxolan-3-ylmethyl)indol-3-yl]-2-(1,3-thiazol-2-yl)ethanone?
The IUPAC name of 1-[6-fluoro-1-(oxolan-3-ylmethyl)indol-3-yl]-2-(1,3-thiazol-2-yl)ethanone (CID 58217432) is 1-[6-fluoro-1-(oxolan-3-ylmethyl)indol-3-yl]-2-(1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 1-[6-fluoro-1-(oxolan-3-ylmethyl)indol-3-yl]-2-(1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 1-[6-fluoro-1-(oxolan-3-ylmethyl)indol-3-yl]-2-(1,3-thiazol-2-yl)ethanone is O=C(Cc1nccs1)c1cn(CC2CCOC2)c2cc(F)ccc12.
What is the InChIKey of 1-[6-fluoro-1-(oxolan-3-ylmethyl)indol-3-yl]-2-(1,3-thiazol-2-yl)ethanone?
The InChIKey is CQQYHYKHOYUUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2S/c19-13-1-2-14-15(17(22)8-18-20-4-6-24-18)10-21(16(14)7-13)9-12-3-5-23-11-12/h1-2,4,6-7,10,12H,3,5,8-9,11H2.
What are the key properties of 1-[6-fluoro-1-(oxolan-3-ylmethyl)indol-3-yl]-2-(1,3-thiazol-2-yl)ethanone?
1-[6-fluoro-1-(oxolan-3-ylmethyl)indol-3-yl]-2-(1,3-thiazol-2-yl)ethanone has a molecular weight of 344.41 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-fluoro-1-(oxolan-3-ylmethyl)indol-3-yl]-2-(1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 58217432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).