(5Z)-5-[[7-(4H-1,3-benzodioxin-6-yl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione

C19H12N2O5S — CID 118090608

IUPAC(5Z)-5-[[7-(4H-1,3-benzodioxin-6-yl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2cc3cncc(-c4ccc5c(c4)COCO5)c3o2)S1
InChIInChI=1S/C19H12N2O5S/c22-18-16(27-19(23)21-18)5-13-4-11-6-20-7-14(17(11)26-13)10-1-2-15-12(3-10)8-24-9-25-15/h1-7H,8-9H2,(H,21,22,23)/b16-5-
InChIKeyYXXODOXFOXOTBI-BNCCVWRVSA-N
MW380.38 g/mol
LogP3.69
Rot. Bonds2

About (5Z)-5-[[7-(4H-1,3-benzodioxin-6-yl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione

(5Z)-5-[[7-(4H-1,3-benzodioxin-6-yl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 118090608) has the molecular formula C19H12N2O5S and a molecular weight of 380.38 g/mol. Its IUPAC name is (5Z)-5-[[7-(4H-1,3-benzodioxin-6-yl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[7-(4H-1,3-benzodioxin-6-yl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID118090608
Molecular FormulaC19H12N2O5S
Molecular Weight380.38 g/mol
Exact Mass380.05
IUPAC Name(5Z)-5-[[7-(4H-1,3-benzodioxin-6-yl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2cc3cncc(-c4ccc5c(c4)COCO5)c3o2)S1
InChIInChI=1S/C19H12N2O5S/c22-18-16(27-19(23)21-18)5-13-4-11-6-20-7-14(17(11)26-13)10-1-2-15-12(3-10)8-24-9-25-15/h1-7H,8-9H2,(H,21,22,23)/b16-5-
InChIKeyYXXODOXFOXOTBI-BNCCVWRVSA-N
XLogP3.69
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-[[7-(4H-1,3-benzodioxin-6-yl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[7-(4H-1,3-benzodioxin-6-yl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione (CID 118090608) is (5Z)-5-[[7-(4H-1,3-benzodioxin-6-yl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[7-(4H-1,3-benzodioxin-6-yl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[7-(4H-1,3-benzodioxin-6-yl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)/C(=C/c2cc3cncc(-c4ccc5c(c4)COCO5)c3o2)S1.
What is the InChIKey of (5Z)-5-[[7-(4H-1,3-benzodioxin-6-yl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is YXXODOXFOXOTBI-BNCCVWRVSA-N. The full InChI is InChI=1S/C19H12N2O5S/c22-18-16(27-19(23)21-18)5-13-4-11-6-20-7-14(17(11)26-13)10-1-2-15-12(3-10)8-24-9-25-15/h1-7H,8-9H2,(H,21,22,23)/b16-5-.
What are the key properties of (5Z)-5-[[7-(4H-1,3-benzodioxin-6-yl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[[7-(4H-1,3-benzodioxin-6-yl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 380.38 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[7-(4H-1,3-benzodioxin-6-yl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 118090608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).