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

C16H11IN2O2S — CID 1097329

IUPAC(2S)-3-(4-iodophenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
SMILESO=C1CS[C@@]2(C(=O)Nc3ccccc32)N1c1ccc(I)cc1
InChIInChI=1S/C16H11IN2O2S/c17-10-5-7-11(8-6-10)19-14(20)9-22-16(19)12-3-1-2-4-13(12)18-15(16)21/h1-8H,9H2,(H,18,21)/t16-/m0/s1
InChIKeyMRQQVEMEOZBBNT-INIZCTEOSA-N
MW422.25 g/mol
LogP3.18
Rot. Bonds1

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

(2S)-3-(4-iodophenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione (PubChem CID 1097329) has the molecular formula C16H11IN2O2S and a molecular weight of 422.25 g/mol. Its IUPAC name is (2S)-3-(4-iodophenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione.

Molecular Properties

Compound Name(2S)-3-(4-iodophenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
PubChem CID1097329
Molecular FormulaC16H11IN2O2S
Molecular Weight422.25 g/mol
Exact Mass421.96
IUPAC Name(2S)-3-(4-iodophenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
SMILESO=C1CS[C@@]2(C(=O)Nc3ccccc32)N1c1ccc(I)cc1
InChIInChI=1S/C16H11IN2O2S/c17-10-5-7-11(8-6-10)19-14(20)9-22-16(19)12-3-1-2-4-13(12)18-15(16)21/h1-8H,9H2,(H,18,21)/t16-/m0/s1
InChIKeyMRQQVEMEOZBBNT-INIZCTEOSA-N
XLogP3.18
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.25
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(2S)-3-(4-methylphenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
CID 7066927
(2R)-3-(3,4-dimethylphenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
CID 7099773
(2S)-3-(3-chlorophenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
CID 702157
(2R)-3-(3-chlorophenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
CID 702156
3-(3-methylphenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
CID 3152134
3-(3-chloro-4-fluorophenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
CID 2976227
3-(4-methylphenyl)spiro[1,3-thiazinane-2,3'-1H-indole]-2',4-dione
CID 3858011
(2S)-5'-methyl-3-(4-methylphenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
CID 7830115
3-[4-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]phenyl]spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
CID 50900835
3-[4-[2-[(4-bromophenyl)methyl]-1,3-thiazol-4-yl]phenyl]spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
CID 50900749
(2S)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
CID 1075542
3-phenylspiro[1,3,4-thiadiazinane-2,3'-1H-indole]-2',5-dione
CID 4681651

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(4-iodophenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione?
The IUPAC name of (2S)-3-(4-iodophenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione (CID 1097329) is (2S)-3-(4-iodophenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione.
What is the SMILES notation for (2S)-3-(4-iodophenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione?
The canonical SMILES for (2S)-3-(4-iodophenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione is O=C1CS[C@@]2(C(=O)Nc3ccccc32)N1c1ccc(I)cc1.
What is the InChIKey of (2S)-3-(4-iodophenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione?
The InChIKey is MRQQVEMEOZBBNT-INIZCTEOSA-N. The full InChI is InChI=1S/C16H11IN2O2S/c17-10-5-7-11(8-6-10)19-14(20)9-22-16(19)12-3-1-2-4-13(12)18-15(16)21/h1-8H,9H2,(H,18,21)/t16-/m0/s1.
What are the key properties of (2S)-3-(4-iodophenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione?
(2S)-3-(4-iodophenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione has a molecular weight of 422.25 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(4-iodophenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione is sourced from PubChem (CID 1097329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).