(2S)-1'-(morpholin-4-ylmethyl)-3-(4-phenoxyphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione

C27H25N3O4S — CID 26415725

IUPAC(2S)-1'-(morpholin-4-ylmethyl)-3-(4-phenoxyphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
SMILESO=C1CS[C@@]2(C(=O)N(CN3CCOCC3)c3ccccc32)N1c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C27H25N3O4S/c31-25-18-35-27(30(25)20-10-12-22(13-11-20)34-21-6-2-1-3-7-21)23-8-4-5-9-24(23)29(26(27)32)19-28-14-16-33-17-15-28/h1-13H,14-19H2/t27-/m0/s1
InChIKeyITENVEDIOUSDEB-MHZLTWQESA-N
MW487.58 g/mol
LogP4.05
Rot. Bonds5

About (2S)-1'-(morpholin-4-ylmethyl)-3-(4-phenoxyphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione

(2S)-1'-(morpholin-4-ylmethyl)-3-(4-phenoxyphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione (PubChem CID 26415725) has the molecular formula C27H25N3O4S and a molecular weight of 487.58 g/mol. Its IUPAC name is (2S)-1'-(morpholin-4-ylmethyl)-3-(4-phenoxyphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione.

Molecular Properties

Compound Name(2S)-1'-(morpholin-4-ylmethyl)-3-(4-phenoxyphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
PubChem CID26415725
Molecular FormulaC27H25N3O4S
Molecular Weight487.58 g/mol
Exact Mass487.16
IUPAC Name(2S)-1'-(morpholin-4-ylmethyl)-3-(4-phenoxyphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
SMILESO=C1CS[C@@]2(C(=O)N(CN3CCOCC3)c3ccccc32)N1c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C27H25N3O4S/c31-25-18-35-27(30(25)20-10-12-22(13-11-20)34-21-6-2-1-3-7-21)23-8-4-5-9-24(23)29(26(27)32)19-28-14-16-33-17-15-28/h1-13H,14-19H2/t27-/m0/s1
InChIKeyITENVEDIOUSDEB-MHZLTWQESA-N
XLogP4.05
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.58
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1'-(morpholin-4-ylmethyl)-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 12750664
(2S)-3-(3-chloro-4-methylphenyl)-1'-(morpholin-4-ylmethyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 97464897
(2S)-1'-(morpholin-4-ylmethyl)-3-[3-(trifluoromethyl)phenyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 100816737
(2S)-1'-[(4-benzylpiperazin-1-yl)methyl]-3-(4-methoxyphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 92650910
(2R)-1'-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-3-(4-phenylmethoxyphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 98228594
(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
1'-[(4-benzylpiperazin-1-yl)methyl]-3-(4-chlorophenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 4223491
3-(4-ethylphenyl)-1'-(piperidin-1-ylmethyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 17380283
(2S)-1'-[(4-benzylpiperidin-1-yl)methyl]-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 100816729
(2S)-1'-[(4-methylpiperidin-1-yl)methyl]-3-naphthalen-2-ylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 2295671
(2S)-3-(4-chlorophenyl)-1'-[(4-methylpiperidin-1-yl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 26516671
(2S)-1'-[(4-benzhydrylpiperazin-1-yl)methyl]-3-(4-propan-2-ylphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 92905385

Frequently Asked Questions

What is the IUPAC name of (2S)-1'-(morpholin-4-ylmethyl)-3-(4-phenoxyphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
The IUPAC name of (2S)-1'-(morpholin-4-ylmethyl)-3-(4-phenoxyphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione (CID 26415725) is (2S)-1'-(morpholin-4-ylmethyl)-3-(4-phenoxyphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione.
What is the SMILES notation for (2S)-1'-(morpholin-4-ylmethyl)-3-(4-phenoxyphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
The canonical SMILES for (2S)-1'-(morpholin-4-ylmethyl)-3-(4-phenoxyphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione is O=C1CS[C@@]2(C(=O)N(CN3CCOCC3)c3ccccc32)N1c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of (2S)-1'-(morpholin-4-ylmethyl)-3-(4-phenoxyphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
The InChIKey is ITENVEDIOUSDEB-MHZLTWQESA-N. The full InChI is InChI=1S/C27H25N3O4S/c31-25-18-35-27(30(25)20-10-12-22(13-11-20)34-21-6-2-1-3-7-21)23-8-4-5-9-24(23)29(26(27)32)19-28-14-16-33-17-15-28/h1-13H,14-19H2/t27-/m0/s1.
What are the key properties of (2S)-1'-(morpholin-4-ylmethyl)-3-(4-phenoxyphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
(2S)-1'-(morpholin-4-ylmethyl)-3-(4-phenoxyphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione has a molecular weight of 487.58 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1'-(morpholin-4-ylmethyl)-3-(4-phenoxyphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione is sourced from PubChem (CID 26415725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).