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

C13H8N2O3S — CID 11514586

IUPAC(5Z)-5-[(5-pyridin-3-ylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2ccc(-c3cccnc3)o2)S1
InChIInChI=1S/C13H8N2O3S/c16-12-11(19-13(17)15-12)6-9-3-4-10(18-9)8-2-1-5-14-7-8/h1-7H,(H,15,16,17)/b11-6-
InChIKeyPKZILUHLGGTGRZ-WDZFZDKYSA-N
MW272.29 g/mol
LogP2.67
Rot. Bonds2

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

(5Z)-5-[(5-pyridin-3-ylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 11514586) has the molecular formula C13H8N2O3S and a molecular weight of 272.29 g/mol. Its IUPAC name is (5Z)-5-[(5-pyridin-3-ylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(5-pyridin-3-ylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID11514586
Molecular FormulaC13H8N2O3S
Molecular Weight272.29 g/mol
Exact Mass272.03
IUPAC Name(5Z)-5-[(5-pyridin-3-ylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2ccc(-c3cccnc3)o2)S1
InChIInChI=1S/C13H8N2O3S/c16-12-11(19-13(17)15-12)6-9-3-4-10(18-9)8-2-1-5-14-7-8/h1-7H,(H,15,16,17)/b11-6-
InChIKeyPKZILUHLGGTGRZ-WDZFZDKYSA-N
XLogP2.67
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 52.67
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)-5-[(5-pyridin-3-ylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(5-pyridin-3-ylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione (CID 11514586) is (5Z)-5-[(5-pyridin-3-ylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(5-pyridin-3-ylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(5-pyridin-3-ylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)/C(=C/c2ccc(-c3cccnc3)o2)S1.
What is the InChIKey of (5Z)-5-[(5-pyridin-3-ylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is PKZILUHLGGTGRZ-WDZFZDKYSA-N. The full InChI is InChI=1S/C13H8N2O3S/c16-12-11(19-13(17)15-12)6-9-3-4-10(18-9)8-2-1-5-14-7-8/h1-7H,(H,15,16,17)/b11-6-.
What are the key properties of (5Z)-5-[(5-pyridin-3-ylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[(5-pyridin-3-ylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 272.29 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(5-pyridin-3-ylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 11514586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).