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

C24H16N2O4S — CID 118090301

IUPAC(5Z)-5-[[7-(3-phenylmethoxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2cc3cncc(-c4cccc(OCc5ccccc5)c4)c3o2)S1
InChIInChI=1S/C24H16N2O4S/c27-23-21(31-24(28)26-23)11-19-10-17-12-25-13-20(22(17)30-19)16-7-4-8-18(9-16)29-14-15-5-2-1-3-6-15/h1-13H,14H2,(H,26,27,28)/b21-11-
InChIKeyPZAXWBFSYKXPIO-NHDPSOOVSA-N
MW428.47 g/mol
LogP5.40
Rot. Bonds5

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

(5Z)-5-[[7-(3-phenylmethoxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 118090301) has the molecular formula C24H16N2O4S and a molecular weight of 428.47 g/mol. Its IUPAC name is (5Z)-5-[[7-(3-phenylmethoxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[7-(3-phenylmethoxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID118090301
Molecular FormulaC24H16N2O4S
Molecular Weight428.47 g/mol
Exact Mass428.08
IUPAC Name(5Z)-5-[[7-(3-phenylmethoxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2cc3cncc(-c4cccc(OCc5ccccc5)c4)c3o2)S1
InChIInChI=1S/C24H16N2O4S/c27-23-21(31-24(28)26-23)11-19-10-17-12-25-13-20(22(17)30-19)16-7-4-8-18(9-16)29-14-15-5-2-1-3-6-15/h1-13H,14H2,(H,26,27,28)/b21-11-
InChIKeyPZAXWBFSYKXPIO-NHDPSOOVSA-N
XLogP5.40
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.47
LogP ≤ 55.40
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 (5Z)-5-[[7-(3-phenylmethoxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[7-(3-phenylmethoxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione (CID 118090301) is (5Z)-5-[[7-(3-phenylmethoxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[7-(3-phenylmethoxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[7-(3-phenylmethoxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)/C(=C/c2cc3cncc(-c4cccc(OCc5ccccc5)c4)c3o2)S1.
What is the InChIKey of (5Z)-5-[[7-(3-phenylmethoxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is PZAXWBFSYKXPIO-NHDPSOOVSA-N. The full InChI is InChI=1S/C24H16N2O4S/c27-23-21(31-24(28)26-23)11-19-10-17-12-25-13-20(22(17)30-19)16-7-4-8-18(9-16)29-14-15-5-2-1-3-6-15/h1-13H,14H2,(H,26,27,28)/b21-11-.
What are the key properties of (5Z)-5-[[7-(3-phenylmethoxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[[7-(3-phenylmethoxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 428.47 g/mol, XLogP of 5.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[7-(3-phenylmethoxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 118090301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).