(2R,5R)-3-(4-ethoxyphenyl)-5-methyl-1'-(piperidin-1-ylmethyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione

C25H29N3O3S — CID 1201972

IUPAC(2R,5R)-3-(4-ethoxyphenyl)-5-methyl-1'-(piperidin-1-ylmethyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
SMILESCCOc1ccc(N2C(=O)[C@@H](C)S[C@]23C(=O)N(CN2CCCCC2)c2ccccc23)cc1
InChIInChI=1S/C25H29N3O3S/c1-3-31-20-13-11-19(12-14-20)28-23(29)18(2)32-25(28)21-9-5-6-10-22(21)27(24(25)30)17-26-15-7-4-8-16-26/h5-6,9-14,18H,3-4,7-8,15-17H2,1-2H3/t18-,25-/m1/s1
InChIKeyQAEVUZWRBKXDEM-IQGLISFBSA-N
MW451.59 g/mol
LogP4.20
Rot. Bonds5

About (2R,5R)-3-(4-ethoxyphenyl)-5-methyl-1'-(piperidin-1-ylmethyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione

(2R,5R)-3-(4-ethoxyphenyl)-5-methyl-1'-(piperidin-1-ylmethyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione (PubChem CID 1201972) has the molecular formula C25H29N3O3S and a molecular weight of 451.59 g/mol. Its IUPAC name is (2R,5R)-3-(4-ethoxyphenyl)-5-methyl-1'-(piperidin-1-ylmethyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione.

Molecular Properties

Compound Name(2R,5R)-3-(4-ethoxyphenyl)-5-methyl-1'-(piperidin-1-ylmethyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
PubChem CID1201972
Molecular FormulaC25H29N3O3S
Molecular Weight451.59 g/mol
Exact Mass451.19
IUPAC Name(2R,5R)-3-(4-ethoxyphenyl)-5-methyl-1'-(piperidin-1-ylmethyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
SMILESCCOc1ccc(N2C(=O)[C@@H](C)S[C@]23C(=O)N(CN2CCCCC2)c2ccccc23)cc1
InChIInChI=1S/C25H29N3O3S/c1-3-31-20-13-11-19(12-14-20)28-23(29)18(2)32-25(28)21-9-5-6-10-22(21)27(24(25)30)17-26-15-7-4-8-16-26/h5-6,9-14,18H,3-4,7-8,15-17H2,1-2H3/t18-,25-/m1/s1
InChIKeyQAEVUZWRBKXDEM-IQGLISFBSA-N
XLogP4.20
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.59
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2R,5R)-3-(4-ethoxyphenyl)-5-methyl-1'-(piperidin-1-ylmethyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
3-(4-ethylphenyl)-1'-(piperidin-1-ylmethyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 17380283
(2S,5S)-1'-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-dibenzofuran-3-yl-5-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 98228413
(2R,5R)-1'-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-dibenzofuran-3-yl-5-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 98228410
(2S,5S)-1'-[(2-chlorophenyl)methyl]-3-(4-fluorophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 42586587
(2S)-1'-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-3-(4-propoxyphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 26414438
(2S)-3-(4-chlorophenyl)-1'-[(4-methylpiperidin-1-yl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 26516671
(2S)-1'-(morpholin-4-ylmethyl)-3-(4-phenoxyphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 26415725
(2S)-3-(4-ethoxyphenyl)-1'-[[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 98527293
(2S)-1'-[(4-methylpiperidin-1-yl)methyl]-3-naphthalen-2-ylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 2295671

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-3-(4-ethoxyphenyl)-5-methyl-1'-(piperidin-1-ylmethyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
The IUPAC name of (2R,5R)-3-(4-ethoxyphenyl)-5-methyl-1'-(piperidin-1-ylmethyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione (CID 1201972) is (2R,5R)-3-(4-ethoxyphenyl)-5-methyl-1'-(piperidin-1-ylmethyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione.
What is the SMILES notation for (2R,5R)-3-(4-ethoxyphenyl)-5-methyl-1'-(piperidin-1-ylmethyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
The canonical SMILES for (2R,5R)-3-(4-ethoxyphenyl)-5-methyl-1'-(piperidin-1-ylmethyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione is CCOc1ccc(N2C(=O)[C@@H](C)S[C@]23C(=O)N(CN2CCCCC2)c2ccccc23)cc1.
What is the InChIKey of (2R,5R)-3-(4-ethoxyphenyl)-5-methyl-1'-(piperidin-1-ylmethyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
The InChIKey is QAEVUZWRBKXDEM-IQGLISFBSA-N. The full InChI is InChI=1S/C25H29N3O3S/c1-3-31-20-13-11-19(12-14-20)28-23(29)18(2)32-25(28)21-9-5-6-10-22(21)27(24(25)30)17-26-15-7-4-8-16-26/h5-6,9-14,18H,3-4,7-8,15-17H2,1-2H3/t18-,25-/m1/s1.
What are the key properties of (2R,5R)-3-(4-ethoxyphenyl)-5-methyl-1'-(piperidin-1-ylmethyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
(2R,5R)-3-(4-ethoxyphenyl)-5-methyl-1'-(piperidin-1-ylmethyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione has a molecular weight of 451.59 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-3-(4-ethoxyphenyl)-5-methyl-1'-(piperidin-1-ylmethyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione is sourced from PubChem (CID 1201972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).