3-[(Z)-but-2-enyl]-2-methylidene-1,3-thiazolidin-4-one

C8H11NOS — CID 143676783

IUPAC3-[(Z)-but-2-enyl]-2-methylidene-1,3-thiazolidin-4-one
SMILESC=C1SCC(=O)N1C/C=C\C
InChIInChI=1S/C8H11NOS/c1-3-4-5-9-7(2)11-6-8(9)10/h3-4H,2,5-6H2,1H3/b4-3-
InChIKeyLHRYKDLGWXWPNZ-ARJAWSKDSA-N
MW169.25 g/mol
LogP1.61
Rot. Bonds2

About 3-[(Z)-but-2-enyl]-2-methylidene-1,3-thiazolidin-4-one

3-[(Z)-but-2-enyl]-2-methylidene-1,3-thiazolidin-4-one (PubChem CID 143676783) has the molecular formula C8H11NOS and a molecular weight of 169.25 g/mol. Its IUPAC name is 3-[(Z)-but-2-enyl]-2-methylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[(Z)-but-2-enyl]-2-methylidene-1,3-thiazolidin-4-one
PubChem CID143676783
Molecular FormulaC8H11NOS
Molecular Weight169.25 g/mol
Exact Mass169.06
IUPAC Name3-[(Z)-but-2-enyl]-2-methylidene-1,3-thiazolidin-4-one
SMILESC=C1SCC(=O)N1C/C=C\C
InChIInChI=1S/C8H11NOS/c1-3-4-5-9-7(2)11-6-8(9)10/h3-4H,2,5-6H2,1H3/b4-3-
InChIKeyLHRYKDLGWXWPNZ-ARJAWSKDSA-N
XLogP1.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-but-2-enyl]-2-methylidene-1,3-thiazolidin-4-one?
The IUPAC name of 3-[(Z)-but-2-enyl]-2-methylidene-1,3-thiazolidin-4-one (CID 143676783) is 3-[(Z)-but-2-enyl]-2-methylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[(Z)-but-2-enyl]-2-methylidene-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[(Z)-but-2-enyl]-2-methylidene-1,3-thiazolidin-4-one is C=C1SCC(=O)N1C/C=C\C.
What is the InChIKey of 3-[(Z)-but-2-enyl]-2-methylidene-1,3-thiazolidin-4-one?
The InChIKey is LHRYKDLGWXWPNZ-ARJAWSKDSA-N. The full InChI is InChI=1S/C8H11NOS/c1-3-4-5-9-7(2)11-6-8(9)10/h3-4H,2,5-6H2,1H3/b4-3-.
What are the key properties of 3-[(Z)-but-2-enyl]-2-methylidene-1,3-thiazolidin-4-one?
3-[(Z)-but-2-enyl]-2-methylidene-1,3-thiazolidin-4-one has a molecular weight of 169.25 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-but-2-enyl]-2-methylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 143676783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).