(5E)-3-methyl-5-[(3-methylthiophen-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

C10H9NOS3 — CID 1256727

IUPAC(5E)-3-methyl-5-[(3-methylthiophen-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCc1ccsc1/C=C1/SC(=S)N(C)C1=O
InChIInChI=1S/C10H9NOS3/c1-6-3-4-14-7(6)5-8-9(12)11(2)10(13)15-8/h3-5H,1-2H3/b8-5+
InChIKeyFOZZKBCAGWCCOO-VMPITWQZSA-N
MW255.39 g/mol
LogP2.89
Rot. Bonds1

About (5E)-3-methyl-5-[(3-methylthiophen-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

(5E)-3-methyl-5-[(3-methylthiophen-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 1256727) has the molecular formula C10H9NOS3 and a molecular weight of 255.39 g/mol. Its IUPAC name is (5E)-3-methyl-5-[(3-methylthiophen-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-3-methyl-5-[(3-methylthiophen-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID1256727
Molecular FormulaC10H9NOS3
Molecular Weight255.39 g/mol
Exact Mass254.98
IUPAC Name(5E)-3-methyl-5-[(3-methylthiophen-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCc1ccsc1/C=C1/SC(=S)N(C)C1=O
InChIInChI=1S/C10H9NOS3/c1-6-3-4-14-7(6)5-8-9(12)11(2)10(13)15-8/h3-5H,1-2H3/b8-5+
InChIKeyFOZZKBCAGWCCOO-VMPITWQZSA-N
XLogP2.89
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5E)-3-methyl-5-[(3-methylthiophen-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-3-methyl-5-[(3-methylthiophen-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (CID 1256727) is (5E)-3-methyl-5-[(3-methylthiophen-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-3-methyl-5-[(3-methylthiophen-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-3-methyl-5-[(3-methylthiophen-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is Cc1ccsc1/C=C1/SC(=S)N(C)C1=O.
What is the InChIKey of (5E)-3-methyl-5-[(3-methylthiophen-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is FOZZKBCAGWCCOO-VMPITWQZSA-N. The full InChI is InChI=1S/C10H9NOS3/c1-6-3-4-14-7(6)5-8-9(12)11(2)10(13)15-8/h3-5H,1-2H3/b8-5+.
What are the key properties of (5E)-3-methyl-5-[(3-methylthiophen-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
(5E)-3-methyl-5-[(3-methylthiophen-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 255.39 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-methyl-5-[(3-methylthiophen-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 1256727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).