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

C12H13NO3S — CID 21374341

IUPAC(5Z)-5-[(2,5-dimethylfuran-3-yl)methylidene]-3-ethyl-1,3-thiazolidine-2,4-dione
SMILESCCN1C(=O)S/C(=C\c2cc(C)oc2C)C1=O
InChIInChI=1S/C12H13NO3S/c1-4-13-11(14)10(17-12(13)15)6-9-5-7(2)16-8(9)3/h5-6H,4H2,1-3H3/b10-6-
InChIKeyMIZJBOYVQXWNSH-POHAHGRESA-N
MW251.31 g/mol
LogP2.95
Rot. Bonds2

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

(5Z)-5-[(2,5-dimethylfuran-3-yl)methylidene]-3-ethyl-1,3-thiazolidine-2,4-dione (PubChem CID 21374341) has the molecular formula C12H13NO3S and a molecular weight of 251.31 g/mol. Its IUPAC name is (5Z)-5-[(2,5-dimethylfuran-3-yl)methylidene]-3-ethyl-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(2,5-dimethylfuran-3-yl)methylidene]-3-ethyl-1,3-thiazolidine-2,4-dione
PubChem CID21374341
Molecular FormulaC12H13NO3S
Molecular Weight251.31 g/mol
Exact Mass251.06
IUPAC Name(5Z)-5-[(2,5-dimethylfuran-3-yl)methylidene]-3-ethyl-1,3-thiazolidine-2,4-dione
SMILESCCN1C(=O)S/C(=C\c2cc(C)oc2C)C1=O
InChIInChI=1S/C12H13NO3S/c1-4-13-11(14)10(17-12(13)15)6-9-5-7(2)16-8(9)3/h5-6H,4H2,1-3H3/b10-6-
InChIKeyMIZJBOYVQXWNSH-POHAHGRESA-N
XLogP2.95
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

(5E)-3-ethyl-5-[(2,4,6-trimethylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 126076971
3-ethyl-5-[[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 1306735
(5E)-3-ethyl-5-[[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 126072656
3-ethyl-5-(furan-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 4760530
3-ethyl-5-[(3-methylthiophen-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 1309329
(5Z)-5-[(2,5-dimethylfuran-3-yl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
CID 21374273
(5Z)-3-ethyl-5-[(2-propan-2-yloxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 126335285
(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-ethyl-1,3-thiazolidine-2,4-dione
CID 2202203
(5E)-3-ethyl-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 2187903
(5Z)-3-ethyl-5-[(5-nitrofuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 23274908
(5E)-3-ethyl-5-[(1-ethylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 1210323
(5E)-3-ethyl-5-[(1-methylpyrrol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 50853636

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(2,5-dimethylfuran-3-yl)methylidene]-3-ethyl-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(2,5-dimethylfuran-3-yl)methylidene]-3-ethyl-1,3-thiazolidine-2,4-dione (CID 21374341) is (5Z)-5-[(2,5-dimethylfuran-3-yl)methylidene]-3-ethyl-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(2,5-dimethylfuran-3-yl)methylidene]-3-ethyl-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(2,5-dimethylfuran-3-yl)methylidene]-3-ethyl-1,3-thiazolidine-2,4-dione is CCN1C(=O)S/C(=C\c2cc(C)oc2C)C1=O.
What is the InChIKey of (5Z)-5-[(2,5-dimethylfuran-3-yl)methylidene]-3-ethyl-1,3-thiazolidine-2,4-dione?
The InChIKey is MIZJBOYVQXWNSH-POHAHGRESA-N. The full InChI is InChI=1S/C12H13NO3S/c1-4-13-11(14)10(17-12(13)15)6-9-5-7(2)16-8(9)3/h5-6H,4H2,1-3H3/b10-6-.
What are the key properties of (5Z)-5-[(2,5-dimethylfuran-3-yl)methylidene]-3-ethyl-1,3-thiazolidine-2,4-dione?
(5Z)-5-[(2,5-dimethylfuran-3-yl)methylidene]-3-ethyl-1,3-thiazolidine-2,4-dione has a molecular weight of 251.31 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(2,5-dimethylfuran-3-yl)methylidene]-3-ethyl-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 21374341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).