(2S)-1'-acetyl-3-(4-fluorophenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione

C18H13FN2O3S — CID 42554574

IUPAC(2S)-1'-acetyl-3-(4-fluorophenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
SMILESCC(=O)N1C(=O)[C@@]2(SCC(=O)N2c2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C18H13FN2O3S/c1-11(22)20-15-5-3-2-4-14(15)18(17(20)24)21(16(23)10-25-18)13-8-6-12(19)7-9-13/h2-9H,10H2,1H3/t18-/m0/s1
InChIKeyZZUKQGAYZFRTEE-SFHVURJKSA-N
MW356.38 g/mol
LogP2.65
Rot. Bonds1

About (2S)-1'-acetyl-3-(4-fluorophenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione

(2S)-1'-acetyl-3-(4-fluorophenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione (PubChem CID 42554574) has the molecular formula C18H13FN2O3S and a molecular weight of 356.38 g/mol. Its IUPAC name is (2S)-1'-acetyl-3-(4-fluorophenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione.

Molecular Properties

Compound Name(2S)-1'-acetyl-3-(4-fluorophenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
PubChem CID42554574
Molecular FormulaC18H13FN2O3S
Molecular Weight356.38 g/mol
Exact Mass356.06
IUPAC Name(2S)-1'-acetyl-3-(4-fluorophenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
SMILESCC(=O)N1C(=O)[C@@]2(SCC(=O)N2c2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C18H13FN2O3S/c1-11(22)20-15-5-3-2-4-14(15)18(17(20)24)21(16(23)10-25-18)13-8-6-12(19)7-9-13/h2-9H,10H2,1H3/t18-/m0/s1
InChIKeyZZUKQGAYZFRTEE-SFHVURJKSA-N
XLogP2.65
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1'-acetyl-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 12750665
1'-acetyl-3-(3-chloro-4-fluorophenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 16765542
(2R)-1'-acetyl-3-(4-butylphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 42582916
2-[(2S)-3-(4-fluorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide
CID 7245556
(2S)-1'-[(2-chlorophenyl)methyl]-3-(4-fluorophenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 42558804
2-[(2S)-3-(4-fluorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(2-methoxyphenyl)acetamide
CID 51608067
(2S)-1'-methyl-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 40660267
2-[(2S)-3-(4-fluorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(4-methoxyphenyl)acetamide
CID 92692090
N-(4-fluorophenyl)-2-[(2R)-3-(4-methoxyphenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide
CID 51608180
3-(3,4-difluorophenyl)-1'-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 20922099
N-benzyl-2-[(2S)-3-(4-fluorophenyl)-7'-methyl-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide
CID 41198320
3-(4-fluorophenyl)-1'-[[3-(trifluoromethyl)phenyl]methyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 20922317

Frequently Asked Questions

What is the IUPAC name of (2S)-1'-acetyl-3-(4-fluorophenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
The IUPAC name of (2S)-1'-acetyl-3-(4-fluorophenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione (CID 42554574) is (2S)-1'-acetyl-3-(4-fluorophenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione.
What is the SMILES notation for (2S)-1'-acetyl-3-(4-fluorophenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
The canonical SMILES for (2S)-1'-acetyl-3-(4-fluorophenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione is CC(=O)N1C(=O)[C@@]2(SCC(=O)N2c2ccc(F)cc2)c2ccccc21.
What is the InChIKey of (2S)-1'-acetyl-3-(4-fluorophenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
The InChIKey is ZZUKQGAYZFRTEE-SFHVURJKSA-N. The full InChI is InChI=1S/C18H13FN2O3S/c1-11(22)20-15-5-3-2-4-14(15)18(17(20)24)21(16(23)10-25-18)13-8-6-12(19)7-9-13/h2-9H,10H2,1H3/t18-/m0/s1.
What are the key properties of (2S)-1'-acetyl-3-(4-fluorophenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
(2S)-1'-acetyl-3-(4-fluorophenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione has a molecular weight of 356.38 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1'-acetyl-3-(4-fluorophenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione is sourced from PubChem (CID 42554574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).