(5E)-5-[(2-methyl-4-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione

C15H16N2O3S — CID 1309596

IUPAC(5E)-5-[(2-methyl-4-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCc1cc(N2CCOCC2)ccc1/C=C1/SC(=O)NC1=O
InChIInChI=1S/C15H16N2O3S/c1-10-8-12(17-4-6-20-7-5-17)3-2-11(10)9-13-14(18)16-15(19)21-13/h2-3,8-9H,4-7H2,1H3,(H,16,18,19)/b13-9+
InChIKeyMRKDEQDHPMKWGK-UKTHLTGXSA-N
MW304.37 g/mol
LogP2.16
Rot. Bonds2

About (5E)-5-[(2-methyl-4-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione

(5E)-5-[(2-methyl-4-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 1309596) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is (5E)-5-[(2-methyl-4-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[(2-methyl-4-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID1309596
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name(5E)-5-[(2-methyl-4-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCc1cc(N2CCOCC2)ccc1/C=C1/SC(=O)NC1=O
InChIInChI=1S/C15H16N2O3S/c1-10-8-12(17-4-6-20-7-5-17)3-2-11(10)9-13-14(18)16-15(19)21-13/h2-3,8-9H,4-7H2,1H3,(H,16,18,19)/b13-9+
InChIKeyMRKDEQDHPMKWGK-UKTHLTGXSA-N
XLogP2.16
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'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-[(2-methyl-4-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5E)-5-[(2-methyl-4-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione (CID 1309596) is (5E)-5-[(2-methyl-4-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[(2-methyl-4-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[(2-methyl-4-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione is Cc1cc(N2CCOCC2)ccc1/C=C1/SC(=O)NC1=O.
What is the InChIKey of (5E)-5-[(2-methyl-4-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is MRKDEQDHPMKWGK-UKTHLTGXSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-10-8-12(17-4-6-20-7-5-17)3-2-11(10)9-13-14(18)16-15(19)21-13/h2-3,8-9H,4-7H2,1H3,(H,16,18,19)/b13-9+.
What are the key properties of (5E)-5-[(2-methyl-4-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
(5E)-5-[(2-methyl-4-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 304.37 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(2-methyl-4-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 1309596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).