(5Z)-3-(2,4-dimethylphenyl)-5-[(1-methylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione

C21H18N2O2S — CID 18839883

IUPAC(5Z)-3-(2,4-dimethylphenyl)-5-[(1-methylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCc1ccc(N2C(=O)S/C(=C\c3cn(C)c4ccccc34)C2=O)c(C)c1
InChIInChI=1S/C21H18N2O2S/c1-13-8-9-17(14(2)10-13)23-20(24)19(26-21(23)25)11-15-12-22(3)18-7-5-4-6-16(15)18/h4-12H,1-3H3/b19-11-
InChIKeyMMQCMDBZFHNEAV-ODLFYWEKSA-N
MW362.45 g/mol
LogP5.04
Rot. Bonds2

About (5Z)-3-(2,4-dimethylphenyl)-5-[(1-methylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione

(5Z)-3-(2,4-dimethylphenyl)-5-[(1-methylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 18839883) has the molecular formula C21H18N2O2S and a molecular weight of 362.45 g/mol. Its IUPAC name is (5Z)-3-(2,4-dimethylphenyl)-5-[(1-methylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-3-(2,4-dimethylphenyl)-5-[(1-methylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID18839883
Molecular FormulaC21H18N2O2S
Molecular Weight362.45 g/mol
Exact Mass362.11
IUPAC Name(5Z)-3-(2,4-dimethylphenyl)-5-[(1-methylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCc1ccc(N2C(=O)S/C(=C\c3cn(C)c4ccccc34)C2=O)c(C)c1
InChIInChI=1S/C21H18N2O2S/c1-13-8-9-17(14(2)10-13)23-20(24)19(26-21(23)25)11-15-12-22(3)18-7-5-4-6-16(15)18/h4-12H,1-3H3/b19-11-
InChIKeyMMQCMDBZFHNEAV-ODLFYWEKSA-N
XLogP5.04
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.45
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

3-(3-hydroxyphenyl)-5-[(1-methylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 4753331
(5Z)-3-(2,5-dimethylphenyl)-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18839947
2-[5-[(1-methylindol-3-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(3-methylphenyl)acetamide
CID 1326493
(5E)-5-[(1-methylindol-3-yl)methylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione
CID 1301236
(5E)-3-methyl-5-[(1-methylindol-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1250058
(5E)-5-[[1-(2,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
CID 126614880
(5Z)-3-(2-methylphenyl)-5-[(2-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18836638
(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-(2,4-dimethylphenyl)-1,3-thiazolidine-2,4-dione
CID 18839916
3-[5-[(1-methylindol-3-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoic acid
CID 4209177
(5Z)-3-(2,4-dimethylphenyl)-5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18839849
3-(4-fluorophenyl)-5-[(1-methylindol-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4298992
3-methyl-N-[(5Z)-5-[(1-methylindol-3-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide
CID 18880420

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-(2,4-dimethylphenyl)-5-[(1-methylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-3-(2,4-dimethylphenyl)-5-[(1-methylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione (CID 18839883) is (5Z)-3-(2,4-dimethylphenyl)-5-[(1-methylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-3-(2,4-dimethylphenyl)-5-[(1-methylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-3-(2,4-dimethylphenyl)-5-[(1-methylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione is Cc1ccc(N2C(=O)S/C(=C\c3cn(C)c4ccccc34)C2=O)c(C)c1.
What is the InChIKey of (5Z)-3-(2,4-dimethylphenyl)-5-[(1-methylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is MMQCMDBZFHNEAV-ODLFYWEKSA-N. The full InChI is InChI=1S/C21H18N2O2S/c1-13-8-9-17(14(2)10-13)23-20(24)19(26-21(23)25)11-15-12-22(3)18-7-5-4-6-16(15)18/h4-12H,1-3H3/b19-11-.
What are the key properties of (5Z)-3-(2,4-dimethylphenyl)-5-[(1-methylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-3-(2,4-dimethylphenyl)-5-[(1-methylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 362.45 g/mol, XLogP of 5.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-(2,4-dimethylphenyl)-5-[(1-methylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 18839883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).