methyl 3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanoate

C13H12FNO2S — CID 94276835

IUPACmethyl 3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanoate
SMILESCOC(=O)CCc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C13H12FNO2S/c1-17-13(16)7-6-12-15-11(8-18-12)9-2-4-10(14)5-3-9/h2-5,8H,6-7H2,1H3
InChIKeyCGRKWWJNOBLWTA-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.05
Rot. Bonds4

About methyl 3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanoate

methyl 3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanoate (PubChem CID 94276835) has the molecular formula C13H12FNO2S and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl 3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanoate
PubChem CID94276835
Molecular FormulaC13H12FNO2S
Molecular Weight265.31 g/mol
Exact Mass265.06
IUPAC Namemethyl 3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanoate
SMILESCOC(=O)CCc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C13H12FNO2S/c1-17-13(16)7-6-12-15-11(8-18-12)9-2-4-10(14)5-3-9/h2-5,8H,6-7H2,1H3
InChIKeyCGRKWWJNOBLWTA-UHFFFAOYSA-N
XLogP3.05
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanoate 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 methyl 3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanoate?
The IUPAC name of methyl 3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanoate (CID 94276835) is methyl 3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanoate.
What is the SMILES notation for methyl 3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanoate?
The canonical SMILES for methyl 3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanoate is COC(=O)CCc1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of methyl 3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanoate?
The InChIKey is CGRKWWJNOBLWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO2S/c1-17-13(16)7-6-12-15-11(8-18-12)9-2-4-10(14)5-3-9/h2-5,8H,6-7H2,1H3.
What are the key properties of methyl 3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanoate?
methyl 3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanoate has a molecular weight of 265.31 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanoate is sourced from PubChem (CID 94276835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).