(2S,5S)-5-methyl-3-[4-(trifluoromethoxy)phenyl]spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione

C18H13F3N2O3S — CID 7322135

IUPAC(2S,5S)-5-methyl-3-[4-(trifluoromethoxy)phenyl]spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
SMILESC[C@@H]1S[C@@]2(C(=O)Nc3ccccc32)N(c2ccc(OC(F)(F)F)cc2)C1=O
InChIInChI=1S/C18H13F3N2O3S/c1-10-15(24)23(11-6-8-12(9-7-11)26-18(19,20)21)17(27-10)13-4-2-3-5-14(13)22-16(17)25/h2-10H,1H3,(H,22,25)/t10-,17-/m0/s1
InChIKeyPACWQCOQLXVTSS-BTDLBPIBSA-N
MW394.37 g/mol
LogP3.86
Rot. Bonds2

About (2S,5S)-5-methyl-3-[4-(trifluoromethoxy)phenyl]spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione

(2S,5S)-5-methyl-3-[4-(trifluoromethoxy)phenyl]spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione (PubChem CID 7322135) has the molecular formula C18H13F3N2O3S and a molecular weight of 394.37 g/mol. Its IUPAC name is (2S,5S)-5-methyl-3-[4-(trifluoromethoxy)phenyl]spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione.

Molecular Properties

Compound Name(2S,5S)-5-methyl-3-[4-(trifluoromethoxy)phenyl]spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
PubChem CID7322135
Molecular FormulaC18H13F3N2O3S
Molecular Weight394.37 g/mol
Exact Mass394.06
IUPAC Name(2S,5S)-5-methyl-3-[4-(trifluoromethoxy)phenyl]spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
SMILESC[C@@H]1S[C@@]2(C(=O)Nc3ccccc32)N(c2ccc(OC(F)(F)F)cc2)C1=O
InChIInChI=1S/C18H13F3N2O3S/c1-10-15(24)23(11-6-8-12(9-7-11)26-18(19,20)21)17(27-10)13-4-2-3-5-14(13)22-16(17)25/h2-10H,1H3,(H,22,25)/t10-,17-/m0/s1
InChIKeyPACWQCOQLXVTSS-BTDLBPIBSA-N
XLogP3.86
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.37
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,5S)-3-(4-methoxyphenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
CID 902536
(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)-3-(3-bromophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
CID 7722521
(2R,5R)-3-(3-bromophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
CID 7722274
5'-bromo-3-(3,4-dichlorophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
CID 102552108
2'-methyl-5-(trifluoromethoxy)spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 106702102
3-(4-methylphenyl)spiro[1,3-thiazinane-2,3'-1H-indole]-2',4-dione
CID 3858011
(2R,5R)-3-(4-ethoxyphenyl)-5-methyl-1'-(piperidin-1-ylmethyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 1201972
trifluoromethoxybenzene
CID 157402708
6-phenyl-2-sulfanylidene-1-[4-(trifluoromethoxy)phenyl]-1,3-diazinan-4-one
CID 2800817

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-5-methyl-3-[4-(trifluoromethoxy)phenyl]spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione?
The IUPAC name of (2S,5S)-5-methyl-3-[4-(trifluoromethoxy)phenyl]spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione (CID 7322135) is (2S,5S)-5-methyl-3-[4-(trifluoromethoxy)phenyl]spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione.
What is the SMILES notation for (2S,5S)-5-methyl-3-[4-(trifluoromethoxy)phenyl]spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione?
The canonical SMILES for (2S,5S)-5-methyl-3-[4-(trifluoromethoxy)phenyl]spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione is C[C@@H]1S[C@@]2(C(=O)Nc3ccccc32)N(c2ccc(OC(F)(F)F)cc2)C1=O.
What is the InChIKey of (2S,5S)-5-methyl-3-[4-(trifluoromethoxy)phenyl]spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione?
The InChIKey is PACWQCOQLXVTSS-BTDLBPIBSA-N. The full InChI is InChI=1S/C18H13F3N2O3S/c1-10-15(24)23(11-6-8-12(9-7-11)26-18(19,20)21)17(27-10)13-4-2-3-5-14(13)22-16(17)25/h2-10H,1H3,(H,22,25)/t10-,17-/m0/s1.
What are the key properties of (2S,5S)-5-methyl-3-[4-(trifluoromethoxy)phenyl]spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione?
(2S,5S)-5-methyl-3-[4-(trifluoromethoxy)phenyl]spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione has a molecular weight of 394.37 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-5-methyl-3-[4-(trifluoromethoxy)phenyl]spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione is sourced from PubChem (CID 7322135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).