(2R,5S)-1'-acetyl-5-methyl-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione

C19H16N2O3S — CID 42586538

IUPAC(2R,5S)-1'-acetyl-5-methyl-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
SMILESCC(=O)N1C(=O)[C@]2(S[C@@H](C)C(=O)N2c2ccccc2)c2ccccc21
InChIInChI=1S/C19H16N2O3S/c1-12-17(23)21(14-8-4-3-5-9-14)19(25-12)15-10-6-7-11-16(15)20(13(2)22)18(19)24/h3-12H,1-2H3/t12-,19+/m0/s1
InChIKeyCKTFBVLADBGJAZ-HXPMCKFVSA-N
MW352.42 g/mol
LogP2.90
Rot. Bonds1

About (2R,5S)-1'-acetyl-5-methyl-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione

(2R,5S)-1'-acetyl-5-methyl-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione (PubChem CID 42586538) has the molecular formula C19H16N2O3S and a molecular weight of 352.42 g/mol. Its IUPAC name is (2R,5S)-1'-acetyl-5-methyl-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione.

Molecular Properties

Compound Name(2R,5S)-1'-acetyl-5-methyl-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
PubChem CID42586538
Molecular FormulaC19H16N2O3S
Molecular Weight352.42 g/mol
Exact Mass352.09
IUPAC Name(2R,5S)-1'-acetyl-5-methyl-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
SMILESCC(=O)N1C(=O)[C@]2(S[C@@H](C)C(=O)N2c2ccccc2)c2ccccc21
InChIInChI=1S/C19H16N2O3S/c1-12-17(23)21(14-8-4-3-5-9-14)19(25-12)15-10-6-7-11-16(15)20(13(2)22)18(19)24/h3-12H,1-2H3/t12-,19+/m0/s1
InChIKeyCKTFBVLADBGJAZ-HXPMCKFVSA-N
XLogP2.90
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 52.90
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
(2S)-1'-acetyl-3-(4-fluorophenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 42554574
(2R,5R)-3-(3-chlorophenyl)-1'-[(4-chlorophenyl)methyl]-5-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 42586572
(2S,5S)-1'-[(2-chlorophenyl)methyl]-3-(4-fluorophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 42586587
(2S,5R)-3-(3-bromophenyl)-1'-[(4-chlorophenyl)methyl]-5-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 42586568
(2R)-1'-acetyl-3-(4-butylphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 42582916
ethyl 1-[[(2R,5S)-3-(4-fluorophenyl)-5-methyl-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]methyl]piperidine-4-carboxylate
CID 1281809
ethyl 1-[[(2S,5R)-3-(4-fluorophenyl)-5-methyl-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]methyl]piperidine-4-carboxylate
CID 1281808
(2R,5R)-3-(4-chlorophenyl)-1'-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 27235072
(2R,5R)-3-(4-ethoxyphenyl)-5-methyl-1'-(piperidin-1-ylmethyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 1201972
1-acetyl-3,3-diethylindol-2-one
CID 59379162
(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 (2R,5S)-1'-acetyl-5-methyl-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
The IUPAC name of (2R,5S)-1'-acetyl-5-methyl-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione (CID 42586538) is (2R,5S)-1'-acetyl-5-methyl-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione.
What is the SMILES notation for (2R,5S)-1'-acetyl-5-methyl-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
The canonical SMILES for (2R,5S)-1'-acetyl-5-methyl-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione is CC(=O)N1C(=O)[C@]2(S[C@@H](C)C(=O)N2c2ccccc2)c2ccccc21.
What is the InChIKey of (2R,5S)-1'-acetyl-5-methyl-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
The InChIKey is CKTFBVLADBGJAZ-HXPMCKFVSA-N. The full InChI is InChI=1S/C19H16N2O3S/c1-12-17(23)21(14-8-4-3-5-9-14)19(25-12)15-10-6-7-11-16(15)20(13(2)22)18(19)24/h3-12H,1-2H3/t12-,19+/m0/s1.
What are the key properties of (2R,5S)-1'-acetyl-5-methyl-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
(2R,5S)-1'-acetyl-5-methyl-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione has a molecular weight of 352.42 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-1'-acetyl-5-methyl-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione is sourced from PubChem (CID 42586538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).