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

C19H14N2O2S — CID 2020179

IUPAC(5Z)-5-[(1-methylindol-3-yl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
SMILESCn1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c2ccccc21
InChIInChI=1S/C19H14N2O2S/c1-20-12-13(15-9-5-6-10-16(15)20)11-17-18(22)21(19(23)24-17)14-7-3-2-4-8-14/h2-12H,1H3/b17-11-
InChIKeyKEOHLLMOOUKYOC-BOPFTXTBSA-N
MW334.40 g/mol
LogP4.42
Rot. Bonds2

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

(5Z)-5-[(1-methylindol-3-yl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione (PubChem CID 2020179) has the molecular formula C19H14N2O2S and a molecular weight of 334.40 g/mol. Its IUPAC name is (5Z)-5-[(1-methylindol-3-yl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(1-methylindol-3-yl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
PubChem CID2020179
Molecular FormulaC19H14N2O2S
Molecular Weight334.40 g/mol
Exact Mass334.08
IUPAC Name(5Z)-5-[(1-methylindol-3-yl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
SMILESCn1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c2ccccc21
InChIInChI=1S/C19H14N2O2S/c1-20-12-13(15-9-5-6-10-16(15)20)11-17-18(22)21(19(23)24-17)14-7-3-2-4-8-14/h2-12H,1H3/b17-11-
InChIKeyKEOHLLMOOUKYOC-BOPFTXTBSA-N
XLogP4.42
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 54.42
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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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(1-methylindol-3-yl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(1-methylindol-3-yl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione (CID 2020179) is (5Z)-5-[(1-methylindol-3-yl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(1-methylindol-3-yl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(1-methylindol-3-yl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione is Cn1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c2ccccc21.
What is the InChIKey of (5Z)-5-[(1-methylindol-3-yl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione?
The InChIKey is KEOHLLMOOUKYOC-BOPFTXTBSA-N. The full InChI is InChI=1S/C19H14N2O2S/c1-20-12-13(15-9-5-6-10-16(15)20)11-17-18(22)21(19(23)24-17)14-7-3-2-4-8-14/h2-12H,1H3/b17-11-.
What are the key properties of (5Z)-5-[(1-methylindol-3-yl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione?
(5Z)-5-[(1-methylindol-3-yl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione has a molecular weight of 334.40 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(1-methylindol-3-yl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 2020179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).