2-methylidene-3-prop-2-enyl-1,3-thiazolidin-4-one

C7H9NOS — CID 123730959

IUPAC2-methylidene-3-prop-2-enyl-1,3-thiazolidin-4-one
SMILESC=CCN1C(=C)SCC1=O
InChIInChI=1S/C7H9NOS/c1-3-4-8-6(2)10-5-7(8)9/h3H,1-2,4-5H2
InChIKeyLVBMCTLPSBNPMR-UHFFFAOYSA-N
MW155.22 g/mol
LogP1.22
Rot. Bonds2

About 2-methylidene-3-prop-2-enyl-1,3-thiazolidin-4-one

2-methylidene-3-prop-2-enyl-1,3-thiazolidin-4-one (PubChem CID 123730959) has the molecular formula C7H9NOS and a molecular weight of 155.22 g/mol. Its IUPAC name is 2-methylidene-3-prop-2-enyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-methylidene-3-prop-2-enyl-1,3-thiazolidin-4-one
PubChem CID123730959
Molecular FormulaC7H9NOS
Molecular Weight155.22 g/mol
Exact Mass155.04
IUPAC Name2-methylidene-3-prop-2-enyl-1,3-thiazolidin-4-one
SMILESC=CCN1C(=C)SCC1=O
InChIInChI=1S/C7H9NOS/c1-3-4-8-6(2)10-5-7(8)9/h3H,1-2,4-5H2
InChIKeyLVBMCTLPSBNPMR-UHFFFAOYSA-N
XLogP1.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 51.22
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

3-[(Z)-but-2-enyl]-2-methylidene-1,3-thiazolidin-4-one
CID 143676783
1,3-bis(prop-2-enyl)-1,3-diazetidine-2,4-dione
CID 15620660
1-methyl-3-[(Z)-(4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)amino]thiourea
CID 5487510
2,5-dimethylidene-1-prop-2-enylpyrrolidine
CID 144985086
N-[4-[(4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)amino]phenyl]acetamide
CID 2131730
1-[(4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)amino]-3-prop-1-ynylthiourea
CID 54168787
1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4-dione
CID 15051391
(3R)-3-methyl-1-prop-2-enylpyrrolidine-2,5-dione
CID 15757783
1-prop-2-enyl-3H-pyridine-2,6-dione
CID 131019098
(2Z)-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 1115414
2-methylidene-1-prop-2-enyl-3H-pyridin-6-one
CID 134556414
2-prop-2-enyl-4H-isoquinoline-1,3-dione
CID 58158111

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-3-prop-2-enyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-methylidene-3-prop-2-enyl-1,3-thiazolidin-4-one (CID 123730959) is 2-methylidene-3-prop-2-enyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-methylidene-3-prop-2-enyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-methylidene-3-prop-2-enyl-1,3-thiazolidin-4-one is C=CCN1C(=C)SCC1=O.
What is the InChIKey of 2-methylidene-3-prop-2-enyl-1,3-thiazolidin-4-one?
The InChIKey is LVBMCTLPSBNPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NOS/c1-3-4-8-6(2)10-5-7(8)9/h3H,1-2,4-5H2.
What are the key properties of 2-methylidene-3-prop-2-enyl-1,3-thiazolidin-4-one?
2-methylidene-3-prop-2-enyl-1,3-thiazolidin-4-one has a molecular weight of 155.22 g/mol, XLogP of 1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-3-prop-2-enyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 123730959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).