(2S,5S)-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione

C18H12F4N2O2S — CID 100817082

IUPAC(2S,5S)-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
SMILESC[C@@H]1S[C@@]2(C(=O)Nc3ccccc32)N(c2ccc(F)c(C(F)(F)F)c2)C1=O
InChIInChI=1S/C18H12F4N2O2S/c1-9-15(25)24(10-6-7-13(19)12(8-10)18(20,21)22)17(27-9)11-4-2-3-5-14(11)23-16(17)26/h2-9H,1H3,(H,23,26)/t9-,17-/m0/s1
InChIKeySQARBBULYWGWHV-XYZCENFISA-N
MW396.37 g/mol
LogP4.12
Rot. Bonds1

About (2S,5S)-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione

(2S,5S)-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione (PubChem CID 100817082) has the molecular formula C18H12F4N2O2S and a molecular weight of 396.37 g/mol. Its IUPAC name is (2S,5S)-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione.

Molecular Properties

Compound Name(2S,5S)-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
PubChem CID100817082
Molecular FormulaC18H12F4N2O2S
Molecular Weight396.37 g/mol
Exact Mass396.06
IUPAC Name(2S,5S)-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
SMILESC[C@@H]1S[C@@]2(C(=O)Nc3ccccc32)N(c2ccc(F)c(C(F)(F)F)c2)C1=O
InChIInChI=1S/C18H12F4N2O2S/c1-9-15(25)24(10-6-7-13(19)12(8-10)18(20,21)22)17(27-9)11-4-2-3-5-14(11)23-16(17)26/h2-9H,1H3,(H,23,26)/t9-,17-/m0/s1
InChIKeySQARBBULYWGWHV-XYZCENFISA-N
XLogP4.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.37
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,5R)-3-(3,5-dichlorophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
CID 7218142
3-(3,5-dichlorophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
CID 2732551
(2S,5R)-3-(3,4-dichlorophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
CID 7118279
(2S,5S)-5-methyl-3-[4-(trifluoromethoxy)phenyl]spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
CID 7322135
(2S,5S)-3-(3-bromophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
CID 7722521
(2R,5S)-3-(4-methoxyphenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
CID 902536
3-(3-chloro-4-fluorophenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
CID 2976227
3',6'-diphenylspiro[1H-indole-3,5'-3,3a-dihydro-[1,3]thiazolo[4,5-c][1,2]oxazole]-2-one
CID 11711039
(5R)-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methyl-2-sulfanylideneimidazolidin-4-one
CID 94215541
(2R)-3-(3,4-dimethylphenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
CID 7099773
(2R,5S)-1'-[(4-chlorophenyl)methyl]-3-(3,4-dimethylphenyl)-5-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 25300748
(2S,5S)-1'-[(4-chlorophenyl)methyl]-3-(3,4-dimethylphenyl)-5-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 25300750

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione?
The IUPAC name of (2S,5S)-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione (CID 100817082) is (2S,5S)-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione.
What is the SMILES notation for (2S,5S)-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione?
The canonical SMILES for (2S,5S)-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione is C[C@@H]1S[C@@]2(C(=O)Nc3ccccc32)N(c2ccc(F)c(C(F)(F)F)c2)C1=O.
What is the InChIKey of (2S,5S)-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione?
The InChIKey is SQARBBULYWGWHV-XYZCENFISA-N. The full InChI is InChI=1S/C18H12F4N2O2S/c1-9-15(25)24(10-6-7-13(19)12(8-10)18(20,21)22)17(27-9)11-4-2-3-5-14(11)23-16(17)26/h2-9H,1H3,(H,23,26)/t9-,17-/m0/s1.
What are the key properties of (2S,5S)-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione?
(2S,5S)-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione has a molecular weight of 396.37 g/mol, XLogP of 4.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione is sourced from PubChem (CID 100817082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).