(5Z)-5-(2H-chromen-3-ylmethylidene)-3-ethyl-1,3-thiazolidine-2,4-dione

C15H13NO3S — CID 71569385

IUPAC(5Z)-5-(2H-chromen-3-ylmethylidene)-3-ethyl-1,3-thiazolidine-2,4-dione
SMILESCCN1C(=O)S/C(=C\C2=Cc3ccccc3OC2)C1=O
InChIInChI=1S/C15H13NO3S/c1-2-16-14(17)13(20-15(16)18)8-10-7-11-5-3-4-6-12(11)19-9-10/h3-8H,2,9H2,1H3/b13-8-
InChIKeySVYCGFDSYIXALF-JYRVWZFOSA-N
MW287.34 g/mol
LogP3.06
Rot. Bonds2

About (5Z)-5-(2H-chromen-3-ylmethylidene)-3-ethyl-1,3-thiazolidine-2,4-dione

(5Z)-5-(2H-chromen-3-ylmethylidene)-3-ethyl-1,3-thiazolidine-2,4-dione (PubChem CID 71569385) has the molecular formula C15H13NO3S and a molecular weight of 287.34 g/mol. Its IUPAC name is (5Z)-5-(2H-chromen-3-ylmethylidene)-3-ethyl-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-(2H-chromen-3-ylmethylidene)-3-ethyl-1,3-thiazolidine-2,4-dione
PubChem CID71569385
Molecular FormulaC15H13NO3S
Molecular Weight287.34 g/mol
Exact Mass287.06
IUPAC Name(5Z)-5-(2H-chromen-3-ylmethylidene)-3-ethyl-1,3-thiazolidine-2,4-dione
SMILESCCN1C(=O)S/C(=C\C2=Cc3ccccc3OC2)C1=O
InChIInChI=1S/C15H13NO3S/c1-2-16-14(17)13(20-15(16)18)8-10-7-11-5-3-4-6-12(11)19-9-10/h3-8H,2,9H2,1H3/b13-8-
InChIKeySVYCGFDSYIXALF-JYRVWZFOSA-N
XLogP3.06
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 53.06
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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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-(2H-chromen-3-ylmethylidene)-3-ethyl-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-(2H-chromen-3-ylmethylidene)-3-ethyl-1,3-thiazolidine-2,4-dione (CID 71569385) is (5Z)-5-(2H-chromen-3-ylmethylidene)-3-ethyl-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-(2H-chromen-3-ylmethylidene)-3-ethyl-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-(2H-chromen-3-ylmethylidene)-3-ethyl-1,3-thiazolidine-2,4-dione is CCN1C(=O)S/C(=C\C2=Cc3ccccc3OC2)C1=O.
What is the InChIKey of (5Z)-5-(2H-chromen-3-ylmethylidene)-3-ethyl-1,3-thiazolidine-2,4-dione?
The InChIKey is SVYCGFDSYIXALF-JYRVWZFOSA-N. The full InChI is InChI=1S/C15H13NO3S/c1-2-16-14(17)13(20-15(16)18)8-10-7-11-5-3-4-6-12(11)19-9-10/h3-8H,2,9H2,1H3/b13-8-.
What are the key properties of (5Z)-5-(2H-chromen-3-ylmethylidene)-3-ethyl-1,3-thiazolidine-2,4-dione?
(5Z)-5-(2H-chromen-3-ylmethylidene)-3-ethyl-1,3-thiazolidine-2,4-dione has a molecular weight of 287.34 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(2H-chromen-3-ylmethylidene)-3-ethyl-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 71569385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).