(5E)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione

C15H14N2O4S — CID 2287168

IUPAC(5E)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione
SMILESC#CCN1C(=O)S/C(=C/c2ccc(N3CCOCC3)o2)C1=O
InChIInChI=1S/C15H14N2O4S/c1-2-5-17-14(18)12(22-15(17)19)10-11-3-4-13(21-11)16-6-8-20-9-7-16/h1,3-4,10H,5-9H2/b12-10+
InChIKeyREUOQSWDTXQCKV-ZRDIBKRKSA-N
MW318.35 g/mol
LogP1.79
Rot. Bonds3

About (5E)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione

(5E)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione (PubChem CID 2287168) has the molecular formula C15H14N2O4S and a molecular weight of 318.35 g/mol. Its IUPAC name is (5E)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione
PubChem CID2287168
Molecular FormulaC15H14N2O4S
Molecular Weight318.35 g/mol
Exact Mass318.07
IUPAC Name(5E)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione
SMILESC#CCN1C(=O)S/C(=C/c2ccc(N3CCOCC3)o2)C1=O
InChIInChI=1S/C15H14N2O4S/c1-2-5-17-14(18)12(22-15(17)19)10-11-3-4-13(21-11)16-6-8-20-9-7-16/h1,3-4,10H,5-9H2/b12-10+
InChIKeyREUOQSWDTXQCKV-ZRDIBKRKSA-N
XLogP1.79
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(5E)-3-(2-methoxyethyl)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 126154946
(5E)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6378534
(5E)-3-[(2R)-butan-2-yl]-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 5455496
(5Z)-5-[(2-methyl-4-morpholin-4-ylphenyl)methylidene]-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione
CID 1303838
N-(3,4-dimethylphenyl)-2-[(5E)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 2261440
5-[[5-(azepan-1-yl)furan-2-yl]methylidene]-3-(cyclohexylmethyl)-1,3-thiazolidine-2,4-dione
CID 3619361
N-(2,4-dimethylphenyl)-2-[(5Z)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 126020113
(5Z)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-octyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 19131294
4-[(5E)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid
CID 2035540
(5Z)-3-ethyl-2-(4-methoxyphenyl)imino-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 126015539
4-chloro-3-[5-[(2,4-dioxo-3-prop-2-ynyl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoic acid
CID 1333758
(5Z)-5-[[5-(4-bromo-3-methylphenyl)furan-2-yl]methylidene]-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione
CID 126129977

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5E)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione (CID 2287168) is (5E)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione is C#CCN1C(=O)S/C(=C/c2ccc(N3CCOCC3)o2)C1=O.
What is the InChIKey of (5E)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione?
The InChIKey is REUOQSWDTXQCKV-ZRDIBKRKSA-N. The full InChI is InChI=1S/C15H14N2O4S/c1-2-5-17-14(18)12(22-15(17)19)10-11-3-4-13(21-11)16-6-8-20-9-7-16/h1,3-4,10H,5-9H2/b12-10+.
What are the key properties of (5E)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione?
(5E)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione has a molecular weight of 318.35 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 2287168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).