(5Z)-3-methyl-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione

C10H9NO3S — CID 6015867

IUPAC(5Z)-3-methyl-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCc1ccc(/C=C2\SC(=O)N(C)C2=O)o1
InChIInChI=1S/C10H9NO3S/c1-6-3-4-7(14-6)5-8-9(12)11(2)10(13)15-8/h3-5H,1-2H3/b8-5-
InChIKeyGHFMOJFMEYICPB-YVMONPNESA-N
MW223.25 g/mol
LogP2.25
Rot. Bonds1

About (5Z)-3-methyl-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione

(5Z)-3-methyl-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 6015867) has the molecular formula C10H9NO3S and a molecular weight of 223.25 g/mol. Its IUPAC name is (5Z)-3-methyl-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-3-methyl-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID6015867
Molecular FormulaC10H9NO3S
Molecular Weight223.25 g/mol
Exact Mass223.03
IUPAC Name(5Z)-3-methyl-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCc1ccc(/C=C2\SC(=O)N(C)C2=O)o1
InChIInChI=1S/C10H9NO3S/c1-6-3-4-7(14-6)5-8-9(12)11(2)10(13)15-8/h3-5H,1-2H3/b8-5-
InChIKeyGHFMOJFMEYICPB-YVMONPNESA-N
XLogP2.25
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 52.25
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)-3-methyl-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-3-methyl-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione (CID 6015867) is (5Z)-3-methyl-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-3-methyl-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-3-methyl-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione is Cc1ccc(/C=C2\SC(=O)N(C)C2=O)o1.
What is the InChIKey of (5Z)-3-methyl-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is GHFMOJFMEYICPB-YVMONPNESA-N. The full InChI is InChI=1S/C10H9NO3S/c1-6-3-4-7(14-6)5-8-9(12)11(2)10(13)15-8/h3-5H,1-2H3/b8-5-.
What are the key properties of (5Z)-3-methyl-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-3-methyl-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 223.25 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-methyl-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 6015867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).