(5E)-5-[[7-(4-acetylphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione

C19H12N2O4S — CID 118090590

IUPAC(5E)-5-[[7-(4-acetylphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCC(=O)c1ccc(-c2cncc3cc(/C=C4/SC(=O)NC4=O)oc23)cc1
InChIInChI=1S/C19H12N2O4S/c1-10(22)11-2-4-12(5-3-11)15-9-20-8-13-6-14(25-17(13)15)7-16-18(23)21-19(24)26-16/h2-9H,1H3,(H,21,23,24)/b16-7+
InChIKeyMNBWLNPCXGGOEG-FRKPEAEDSA-N
MW364.38 g/mol
LogP4.02
Rot. Bonds3

About (5E)-5-[[7-(4-acetylphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione

(5E)-5-[[7-(4-acetylphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 118090590) has the molecular formula C19H12N2O4S and a molecular weight of 364.38 g/mol. Its IUPAC name is (5E)-5-[[7-(4-acetylphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[[7-(4-acetylphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID118090590
Molecular FormulaC19H12N2O4S
Molecular Weight364.38 g/mol
Exact Mass364.05
IUPAC Name(5E)-5-[[7-(4-acetylphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCC(=O)c1ccc(-c2cncc3cc(/C=C4/SC(=O)NC4=O)oc23)cc1
InChIInChI=1S/C19H12N2O4S/c1-10(22)11-2-4-12(5-3-11)15-9-20-8-13-6-14(25-17(13)15)7-16-18(23)21-19(24)26-16/h2-9H,1H3,(H,21,23,24)/b16-7+
InChIKeyMNBWLNPCXGGOEG-FRKPEAEDSA-N
XLogP4.02
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 (5E)-5-[[7-(4-acetylphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5E)-5-[[7-(4-acetylphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione (CID 118090590) is (5E)-5-[[7-(4-acetylphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[[7-(4-acetylphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[[7-(4-acetylphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione is CC(=O)c1ccc(-c2cncc3cc(/C=C4/SC(=O)NC4=O)oc23)cc1.
What is the InChIKey of (5E)-5-[[7-(4-acetylphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is MNBWLNPCXGGOEG-FRKPEAEDSA-N. The full InChI is InChI=1S/C19H12N2O4S/c1-10(22)11-2-4-12(5-3-11)15-9-20-8-13-6-14(25-17(13)15)7-16-18(23)21-19(24)26-16/h2-9H,1H3,(H,21,23,24)/b16-7+.
What are the key properties of (5E)-5-[[7-(4-acetylphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
(5E)-5-[[7-(4-acetylphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 364.38 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[[7-(4-acetylphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 118090590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).