1'-ethyl-5'-fluoro-3-(thiophene-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one

C17H15FN2O2S2 — CID 46015277

IUPAC1'-ethyl-5'-fluoro-3-(thiophene-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
SMILESCCN1C(=O)C2(SCCN2C(=O)c2cccs2)c2cc(F)ccc21
InChIInChI=1S/C17H15FN2O2S2/c1-2-19-13-6-5-11(18)10-12(13)17(16(19)22)20(7-9-24-17)15(21)14-4-3-8-23-14/h3-6,8,10H,2,7,9H2,1H3
InChIKeyAPIIQONJSATYHP-UHFFFAOYSA-N
MW362.45 g/mol
LogP3.30
Rot. Bonds2

About 1'-ethyl-5'-fluoro-3-(thiophene-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one

1'-ethyl-5'-fluoro-3-(thiophene-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one (PubChem CID 46015277) has the molecular formula C17H15FN2O2S2 and a molecular weight of 362.45 g/mol. Its IUPAC name is 1'-ethyl-5'-fluoro-3-(thiophene-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-ethyl-5'-fluoro-3-(thiophene-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
PubChem CID46015277
Molecular FormulaC17H15FN2O2S2
Molecular Weight362.45 g/mol
Exact Mass362.06
IUPAC Name1'-ethyl-5'-fluoro-3-(thiophene-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
SMILESCCN1C(=O)C2(SCCN2C(=O)c2cccs2)c2cc(F)ccc21
InChIInChI=1S/C17H15FN2O2S2/c1-2-19-13-6-5-11(18)10-12(13)17(16(19)22)20(7-9-24-17)15(21)14-4-3-8-23-14/h3-6,8,10H,2,7,9H2,1H3
InChIKeyAPIIQONJSATYHP-UHFFFAOYSA-N
XLogP3.30
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1'-ethyl-5'-fluoro-3-propanoylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 24714351
(2R)-1'-[(2,6-difluorophenyl)methyl]-5'-methyl-3-(thiophene-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93187294
(2R)-3-(3-chlorobenzoyl)-1'-ethyl-5'-fluorospiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93180873
(2S)-1'-[(3-fluorophenyl)methyl]-3-(thiophene-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93186126
(2S)-1'-[(2-methylphenyl)methyl]-3-(thiophene-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93180742
1'-[(3-methoxyphenyl)methyl]-3-(thiophene-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46016829
5'-methoxy-3-(thiophene-2-carbonyl)-1'-[[3-(trifluoromethyl)phenyl]methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 42839214
5'-fluoro-3-(4-methylbenzoyl)-1'-[(4-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46016944
3-[[5'-chloro-2'-oxo-3-(thiophene-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-1'-yl]methyl]benzonitrile
CID 46017388
1'-[(2,4-difluorophenyl)methyl]-5'-fluoro-3-propanoylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 42839230
(2S)-5'-fluoro-3-(4-methylbenzoyl)-1'-[(3-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93186545
(2S)-1'-[(4-fluorophenyl)methyl]-5,5,5'-trimethyl-3-(thiophene-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93181072

Frequently Asked Questions

What is the IUPAC name of 1'-ethyl-5'-fluoro-3-(thiophene-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one?
The IUPAC name of 1'-ethyl-5'-fluoro-3-(thiophene-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one (CID 46015277) is 1'-ethyl-5'-fluoro-3-(thiophene-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one.
What is the SMILES notation for 1'-ethyl-5'-fluoro-3-(thiophene-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one?
The canonical SMILES for 1'-ethyl-5'-fluoro-3-(thiophene-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one is CCN1C(=O)C2(SCCN2C(=O)c2cccs2)c2cc(F)ccc21.
What is the InChIKey of 1'-ethyl-5'-fluoro-3-(thiophene-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one?
The InChIKey is APIIQONJSATYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2S2/c1-2-19-13-6-5-11(18)10-12(13)17(16(19)22)20(7-9-24-17)15(21)14-4-3-8-23-14/h3-6,8,10H,2,7,9H2,1H3.
What are the key properties of 1'-ethyl-5'-fluoro-3-(thiophene-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one?
1'-ethyl-5'-fluoro-3-(thiophene-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one has a molecular weight of 362.45 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-ethyl-5'-fluoro-3-(thiophene-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one is sourced from PubChem (CID 46015277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).