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

C15H13FN2O2S — CID 58217472

IUPAC1-[6-fluoro-1-(2-hydroxyethyl)indol-3-yl]-2-(1,3-thiazol-2-yl)ethanone
SMILESO=C(Cc1nccs1)c1cn(CCO)c2cc(F)ccc12
InChIInChI=1S/C15H13FN2O2S/c16-10-1-2-11-12(9-18(4-5-19)13(11)7-10)14(20)8-15-17-3-6-21-15/h1-3,6-7,9,19H,4-5,8H2
InChIKeyZUDYIYUSBRWVGA-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.65
Rot. Bonds5

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

1-[6-fluoro-1-(2-hydroxyethyl)indol-3-yl]-2-(1,3-thiazol-2-yl)ethanone (PubChem CID 58217472) has the molecular formula C15H13FN2O2S and a molecular weight of 304.35 g/mol. Its IUPAC name is 1-[6-fluoro-1-(2-hydroxyethyl)indol-3-yl]-2-(1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name1-[6-fluoro-1-(2-hydroxyethyl)indol-3-yl]-2-(1,3-thiazol-2-yl)ethanone
PubChem CID58217472
Molecular FormulaC15H13FN2O2S
Molecular Weight304.35 g/mol
Exact Mass304.07
IUPAC Name1-[6-fluoro-1-(2-hydroxyethyl)indol-3-yl]-2-(1,3-thiazol-2-yl)ethanone
SMILESO=C(Cc1nccs1)c1cn(CCO)c2cc(F)ccc12
InChIInChI=1S/C15H13FN2O2S/c16-10-1-2-11-12(9-18(4-5-19)13(11)7-10)14(20)8-15-17-3-6-21-15/h1-3,6-7,9,19H,4-5,8H2
InChIKeyZUDYIYUSBRWVGA-UHFFFAOYSA-N
XLogP2.65
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.65
H-Bond Donors ≤ 51
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
1-ethyl-N-[(E)-(4-fluorophenyl)methylideneamino]-5-[4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]indole-3-carboxamide
CID 156013761
2-{3-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)carbonyl]-1H-indol-1-yl}acetic acid
CID 11292212
ethyl [3-(2-thienylcarbonyl)-1H-indol-1-yl]acetate
CID 963211
[3-(2-thienylcarbonyl)-1H-indol-1-yl]acetic acid
CID 2212703
3-{1-[2-hydroxy-3-(4-morpholinyl)propyl]-1H-indol-3-yl}-1-(2-thienyl)-2-propen-1-one
CID 6224559
(2E)-3-[1-(3-azepan-1-yl-2-hydroxypropyl)-1H-indol-3-yl]-1-thien-2-ylprop-2-en-1-one
CID 11835308
Indolokine A5
CID 23651846
[6-(4-Fluoro-phenyl)-1-(2-hydroxy-ethyl)-1H-indol-3-yl]-(3-pyridin-3-yl-1H-pyrrolo[1,2-c]thiazol-7-yl)-methanone
CID 19379132

Frequently Asked Questions

What is the IUPAC name of 1-[6-fluoro-1-(2-hydroxyethyl)indol-3-yl]-2-(1,3-thiazol-2-yl)ethanone?
The IUPAC name of 1-[6-fluoro-1-(2-hydroxyethyl)indol-3-yl]-2-(1,3-thiazol-2-yl)ethanone (CID 58217472) is 1-[6-fluoro-1-(2-hydroxyethyl)indol-3-yl]-2-(1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 1-[6-fluoro-1-(2-hydroxyethyl)indol-3-yl]-2-(1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 1-[6-fluoro-1-(2-hydroxyethyl)indol-3-yl]-2-(1,3-thiazol-2-yl)ethanone is O=C(Cc1nccs1)c1cn(CCO)c2cc(F)ccc12.
What is the InChIKey of 1-[6-fluoro-1-(2-hydroxyethyl)indol-3-yl]-2-(1,3-thiazol-2-yl)ethanone?
The InChIKey is ZUDYIYUSBRWVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O2S/c16-10-1-2-11-12(9-18(4-5-19)13(11)7-10)14(20)8-15-17-3-6-21-15/h1-3,6-7,9,19H,4-5,8H2.
What are the key properties of 1-[6-fluoro-1-(2-hydroxyethyl)indol-3-yl]-2-(1,3-thiazol-2-yl)ethanone?
1-[6-fluoro-1-(2-hydroxyethyl)indol-3-yl]-2-(1,3-thiazol-2-yl)ethanone has a molecular weight of 304.35 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-fluoro-1-(2-hydroxyethyl)indol-3-yl]-2-(1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 58217472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).