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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Related Compounds

2-methylidene-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 123730959
1-but-2-enylpyrrolidine-2,5-dione
CID 70609957
3-but-2-enyl-5-methylidene-2-[(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one
CID 173359962
3-but-2-enyl-5,5-dimethyl-1,3-thiazolidine-2,4-dione
CID 71323453
2-methylidene-3-propan-2-yl-1,3-thiazolidin-4-one
CID 145121125
1-[(Z)-but-2-enyl]-5-methyl-3H-indol-2-one
CID 143014619
1,3-bis[(E)-but-2-enyl]benzimidazol-2-one
CID 155329218
1,3-bis(but-2-enyl)-5-ethyl-1,3,5-triazinane-2,4,6-trione
CID 54527016
1,3-bis(but-2-enyl)-5-methyl-1,3,5-triazinane-2,4,6-trione
CID 54557283
1-but-2-enyl-3,5-dimethyl-1,3,5-triazinane-2,4,6-trione
CID 174837120
7-amino-4-[(E)-but-2-enyl]-1,4-benzoxazin-3-one
CID 107900545
1-[(Z)-but-2-enyl]aziridine
CID 5362970

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).