(5E)-5-[[5-(diethylamino)furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione

C15H20N2O3S — CID 1209894

IUPAC(5E)-5-[[5-(diethylamino)furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione
SMILESCCN(CC)c1ccc(/C=C2/SC(=O)N(C(C)C)C2=O)o1
InChIInChI=1S/C15H20N2O3S/c1-5-16(6-2)13-8-7-11(20-13)9-12-14(18)17(10(3)4)15(19)21-12/h7-10H,5-6H2,1-4H3/b12-9+
InChIKeyCCIPNZUEBQZXPS-FMIVXFBMSA-N
MW308.40 g/mol
LogP3.57
Rot. Bonds5

About (5E)-5-[[5-(diethylamino)furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione

(5E)-5-[[5-(diethylamino)furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione (PubChem CID 1209894) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is (5E)-5-[[5-(diethylamino)furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[[5-(diethylamino)furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione
PubChem CID1209894
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name(5E)-5-[[5-(diethylamino)furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione
SMILESCCN(CC)c1ccc(/C=C2/SC(=O)N(C(C)C)C2=O)o1
InChIInChI=1S/C15H20N2O3S/c1-5-16(6-2)13-8-7-11(20-13)9-12-14(18)17(10(3)4)15(19)21-12/h7-10H,5-6H2,1-4H3/b12-9+
InChIKeyCCIPNZUEBQZXPS-FMIVXFBMSA-N
XLogP3.57
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 53.57
H-Bond Donors ≤ 50
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 (5E)-5-[[5-(diethylamino)furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5E)-5-[[5-(diethylamino)furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione (CID 1209894) is (5E)-5-[[5-(diethylamino)furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[[5-(diethylamino)furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[[5-(diethylamino)furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione is CCN(CC)c1ccc(/C=C2/SC(=O)N(C(C)C)C2=O)o1.
What is the InChIKey of (5E)-5-[[5-(diethylamino)furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione?
The InChIKey is CCIPNZUEBQZXPS-FMIVXFBMSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-5-16(6-2)13-8-7-11(20-13)9-12-14(18)17(10(3)4)15(19)21-12/h7-10H,5-6H2,1-4H3/b12-9+.
What are the key properties of (5E)-5-[[5-(diethylamino)furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione?
(5E)-5-[[5-(diethylamino)furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione has a molecular weight of 308.40 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[[5-(diethylamino)furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 1209894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).