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

C19H14N2O3S — CID 2009670

IUPAC(5Z)-3-(4-hydroxyphenyl)-5-[(1-methylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCn1cc(/C=C2\SC(=O)N(c3ccc(O)cc3)C2=O)c2ccccc21
InChIInChI=1S/C19H14N2O3S/c1-20-11-12(15-4-2-3-5-16(15)20)10-17-18(23)21(19(24)25-17)13-6-8-14(22)9-7-13/h2-11,22H,1H3/b17-10-
InChIKeyYFBMFDZRMWDSAD-YVLHZVERSA-N
MW350.40 g/mol
LogP4.12
Rot. Bonds2

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

(5Z)-3-(4-hydroxyphenyl)-5-[(1-methylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 2009670) has the molecular formula C19H14N2O3S and a molecular weight of 350.40 g/mol. Its IUPAC name is (5Z)-3-(4-hydroxyphenyl)-5-[(1-methylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-3-(4-hydroxyphenyl)-5-[(1-methylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID2009670
Molecular FormulaC19H14N2O3S
Molecular Weight350.40 g/mol
Exact Mass350.07
IUPAC Name(5Z)-3-(4-hydroxyphenyl)-5-[(1-methylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCn1cc(/C=C2\SC(=O)N(c3ccc(O)cc3)C2=O)c2ccccc21
InChIInChI=1S/C19H14N2O3S/c1-20-11-12(15-4-2-3-5-16(15)20)10-17-18(23)21(19(24)25-17)13-6-8-14(22)9-7-13/h2-11,22H,1H3/b17-10-
InChIKeyYFBMFDZRMWDSAD-YVLHZVERSA-N
XLogP4.12
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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)-3-(4-hydroxyphenyl)-5-[(1-methylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-3-(4-hydroxyphenyl)-5-[(1-methylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione (CID 2009670) is (5Z)-3-(4-hydroxyphenyl)-5-[(1-methylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-3-(4-hydroxyphenyl)-5-[(1-methylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-3-(4-hydroxyphenyl)-5-[(1-methylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione is Cn1cc(/C=C2\SC(=O)N(c3ccc(O)cc3)C2=O)c2ccccc21.
What is the InChIKey of (5Z)-3-(4-hydroxyphenyl)-5-[(1-methylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is YFBMFDZRMWDSAD-YVLHZVERSA-N. The full InChI is InChI=1S/C19H14N2O3S/c1-20-11-12(15-4-2-3-5-16(15)20)10-17-18(23)21(19(24)25-17)13-6-8-14(22)9-7-13/h2-11,22H,1H3/b17-10-.
What are the key properties of (5Z)-3-(4-hydroxyphenyl)-5-[(1-methylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-3-(4-hydroxyphenyl)-5-[(1-methylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 350.40 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-(4-hydroxyphenyl)-5-[(1-methylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 2009670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).