prop-2-enyl 4-(fluoromethyl)-2-prop-2-enyl-1,3-thiazole-5-carboxylate

C11H12FNO2S — CID 67817628

IUPACprop-2-enyl 4-(fluoromethyl)-2-prop-2-enyl-1,3-thiazole-5-carboxylate
SMILESC=CCOC(=O)c1sc(CC=C)nc1CF
InChIInChI=1S/C11H12FNO2S/c1-3-5-9-13-8(7-12)10(16-9)11(14)15-6-4-2/h3-4H,1-2,5-7H2
InChIKeyZFADFJSYIVWQGE-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.68
Rot. Bonds6

About prop-2-enyl 4-(fluoromethyl)-2-prop-2-enyl-1,3-thiazole-5-carboxylate

prop-2-enyl 4-(fluoromethyl)-2-prop-2-enyl-1,3-thiazole-5-carboxylate (PubChem CID 67817628) has the molecular formula C11H12FNO2S and a molecular weight of 241.29 g/mol. Its IUPAC name is prop-2-enyl 4-(fluoromethyl)-2-prop-2-enyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 4-(fluoromethyl)-2-prop-2-enyl-1,3-thiazole-5-carboxylate
PubChem CID67817628
Molecular FormulaC11H12FNO2S
Molecular Weight241.29 g/mol
Exact Mass241.06
IUPAC Nameprop-2-enyl 4-(fluoromethyl)-2-prop-2-enyl-1,3-thiazole-5-carboxylate
SMILESC=CCOC(=O)c1sc(CC=C)nc1CF
InChIInChI=1S/C11H12FNO2S/c1-3-5-9-13-8(7-12)10(16-9)11(14)15-6-4-2/h3-4H,1-2,5-7H2
InChIKeyZFADFJSYIVWQGE-UHFFFAOYSA-N
XLogP2.68
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze prop-2-enyl 4-(fluoromethyl)-2-prop-2-enyl-1,3-thiazole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 4-(fluoromethyl)-2-prop-2-enyl-1,3-thiazole-5-carboxylate?
The IUPAC name of prop-2-enyl 4-(fluoromethyl)-2-prop-2-enyl-1,3-thiazole-5-carboxylate (CID 67817628) is prop-2-enyl 4-(fluoromethyl)-2-prop-2-enyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for prop-2-enyl 4-(fluoromethyl)-2-prop-2-enyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for prop-2-enyl 4-(fluoromethyl)-2-prop-2-enyl-1,3-thiazole-5-carboxylate is C=CCOC(=O)c1sc(CC=C)nc1CF.
What is the InChIKey of prop-2-enyl 4-(fluoromethyl)-2-prop-2-enyl-1,3-thiazole-5-carboxylate?
The InChIKey is ZFADFJSYIVWQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO2S/c1-3-5-9-13-8(7-12)10(16-9)11(14)15-6-4-2/h3-4H,1-2,5-7H2.
What are the key properties of prop-2-enyl 4-(fluoromethyl)-2-prop-2-enyl-1,3-thiazole-5-carboxylate?
prop-2-enyl 4-(fluoromethyl)-2-prop-2-enyl-1,3-thiazole-5-carboxylate has a molecular weight of 241.29 g/mol, XLogP of 2.68, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 4-(fluoromethyl)-2-prop-2-enyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 67817628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).