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

C19H14N2O2S — CID 18973266

IUPAC(5Z)-5-[(1-benzylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2cn(Cc3ccccc3)c3ccccc23)S1
InChIInChI=1S/C19H14N2O2S/c22-18-17(24-19(23)20-18)10-14-12-21(11-13-6-2-1-3-7-13)16-9-5-4-8-15(14)16/h1-10,12H,11H2,(H,20,22,23)/b17-10-
InChIKeyFSHJJYQZCGYBSK-YVLHZVERSA-N
MW334.40 g/mol
LogP4.01
Rot. Bonds3

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

(5Z)-5-[(1-benzylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 18973266) has the molecular formula C19H14N2O2S and a molecular weight of 334.40 g/mol. Its IUPAC name is (5Z)-5-[(1-benzylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(1-benzylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID18973266
Molecular FormulaC19H14N2O2S
Molecular Weight334.40 g/mol
Exact Mass334.08
IUPAC Name(5Z)-5-[(1-benzylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2cn(Cc3ccccc3)c3ccccc23)S1
InChIInChI=1S/C19H14N2O2S/c22-18-17(24-19(23)20-18)10-14-12-21(11-13-6-2-1-3-7-13)16-9-5-4-8-15(14)16/h1-10,12H,11H2,(H,20,22,23)/b17-10-
InChIKeyFSHJJYQZCGYBSK-YVLHZVERSA-N
XLogP4.01
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 54.01
H-Bond Donors ≤ 51
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-benzylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(1-benzylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione (CID 18973266) is (5Z)-5-[(1-benzylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(1-benzylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(1-benzylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)/C(=C/c2cn(Cc3ccccc3)c3ccccc23)S1.
What is the InChIKey of (5Z)-5-[(1-benzylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is FSHJJYQZCGYBSK-YVLHZVERSA-N. The full InChI is InChI=1S/C19H14N2O2S/c22-18-17(24-19(23)20-18)10-14-12-21(11-13-6-2-1-3-7-13)16-9-5-4-8-15(14)16/h1-10,12H,11H2,(H,20,22,23)/b17-10-.
What are the key properties of (5Z)-5-[(1-benzylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[(1-benzylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 334.40 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(1-benzylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 18973266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).