(5Z)-3-(2-methoxyphenyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione

C15H11NO3S2 — CID 2178133

IUPAC(5Z)-3-(2-methoxyphenyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
SMILESCOc1ccccc1N1C(=O)S/C(=C\c2cccs2)C1=O
InChIInChI=1S/C15H11NO3S2/c1-19-12-7-3-2-6-11(12)16-14(17)13(21-15(16)18)9-10-5-4-8-20-10/h2-9H,1H3/b13-9-
InChIKeyBKUCORUQBOZHFL-LCYFTJDESA-N
MW317.39 g/mol
LogP4.00
Rot. Bonds3

About (5Z)-3-(2-methoxyphenyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione

(5Z)-3-(2-methoxyphenyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione (PubChem CID 2178133) has the molecular formula C15H11NO3S2 and a molecular weight of 317.39 g/mol. Its IUPAC name is (5Z)-3-(2-methoxyphenyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-3-(2-methoxyphenyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
PubChem CID2178133
Molecular FormulaC15H11NO3S2
Molecular Weight317.39 g/mol
Exact Mass317.02
IUPAC Name(5Z)-3-(2-methoxyphenyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
SMILESCOc1ccccc1N1C(=O)S/C(=C\c2cccs2)C1=O
InChIInChI=1S/C15H11NO3S2/c1-19-12-7-3-2-6-11(12)16-14(17)13(21-15(16)18)9-10-5-4-8-20-10/h2-9H,1H3/b13-9-
InChIKeyBKUCORUQBOZHFL-LCYFTJDESA-N
XLogP4.00
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.00
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 (5Z)-3-(2-methoxyphenyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-3-(2-methoxyphenyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione (CID 2178133) is (5Z)-3-(2-methoxyphenyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-3-(2-methoxyphenyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-3-(2-methoxyphenyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione is COc1ccccc1N1C(=O)S/C(=C\c2cccs2)C1=O.
What is the InChIKey of (5Z)-3-(2-methoxyphenyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The InChIKey is BKUCORUQBOZHFL-LCYFTJDESA-N. The full InChI is InChI=1S/C15H11NO3S2/c1-19-12-7-3-2-6-11(12)16-14(17)13(21-15(16)18)9-10-5-4-8-20-10/h2-9H,1H3/b13-9-.
What are the key properties of (5Z)-3-(2-methoxyphenyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione?
(5Z)-3-(2-methoxyphenyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione has a molecular weight of 317.39 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-(2-methoxyphenyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 2178133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).