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

C13H8N2O3S — CID 11536358

IUPAC(5Z)-5-[(5-pyridin-2-ylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2ccc(-c3ccccn3)o2)S1
InChIInChI=1S/C13H8N2O3S/c16-12-11(19-13(17)15-12)7-8-4-5-10(18-8)9-3-1-2-6-14-9/h1-7H,(H,15,16,17)/b11-7-
InChIKeyURQJIVCOWCHMCI-XFFZJAGNSA-N
MW272.29 g/mol
LogP2.67
Rot. Bonds2

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

(5Z)-5-[(5-pyridin-2-ylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 11536358) has the molecular formula C13H8N2O3S and a molecular weight of 272.29 g/mol. Its IUPAC name is (5Z)-5-[(5-pyridin-2-ylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(5-pyridin-2-ylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID11536358
Molecular FormulaC13H8N2O3S
Molecular Weight272.29 g/mol
Exact Mass272.03
IUPAC Name(5Z)-5-[(5-pyridin-2-ylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2ccc(-c3ccccn3)o2)S1
InChIInChI=1S/C13H8N2O3S/c16-12-11(19-13(17)15-12)7-8-4-5-10(18-8)9-3-1-2-6-14-9/h1-7H,(H,15,16,17)/b11-7-
InChIKeyURQJIVCOWCHMCI-XFFZJAGNSA-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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Related Compounds

(2Z)-2-[1-[5-(1H-pyrrol-2-yl)-2-furyl]ethylidene]pyrrole
CID 10777789
5-(Furan-2-yl)-1,6-naphthyridin-2(1H)-one
CID 13560740
5-(5-Pyridin-3-ylfuran-2-ylmethylene)thiazolidine-2,4-dione
CID 11514586
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methylpyrrole-2-carboxamide
CID 24980922
N-hydroxy-N-[1-(5-pyridin-2-yl-2-furyl)ethyl]urea
CID 10514629
(5Z)-5-[[5-(2-Pyridinyl)-2-furanyl]methylene]-2-thioxo-4-thiazolidinone
CID 57396413
(5Z)-2-imino-5-[(5-pyridin-2-ylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 137630112
Furan, 2-(2-pyrrolyl)-
CID 143951
6-(2-Furanyl)-3-pyridinamine
CID 45788699
N-methyl-[6-(2-furyl)pyrid-3-yl]methylamine
CID 42555940
(5Z)-5-[(5-isoquinolin-1-ylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 44413185
2-(Furan-2-yl)-6-pyridin-2-ylpyridine
CID 44560338

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(5-pyridin-2-ylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(5-pyridin-2-ylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione (CID 11536358) is (5Z)-5-[(5-pyridin-2-ylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(5-pyridin-2-ylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(5-pyridin-2-ylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)/C(=C/c2ccc(-c3ccccn3)o2)S1.
What is the InChIKey of (5Z)-5-[(5-pyridin-2-ylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is URQJIVCOWCHMCI-XFFZJAGNSA-N. The full InChI is InChI=1S/C13H8N2O3S/c16-12-11(19-13(17)15-12)7-8-4-5-10(18-8)9-3-1-2-6-14-9/h1-7H,(H,15,16,17)/b11-7-.
What are the key properties of (5Z)-5-[(5-pyridin-2-ylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[(5-pyridin-2-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-2-ylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 11536358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).