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

C13H12FNO2S — CID 107039584

IUPACmethyl 3-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]propanoate
SMILESCOC(=O)CCc1csc(-c2cccc(F)c2)n1
InChIInChI=1S/C13H12FNO2S/c1-17-12(16)6-5-11-8-18-13(15-11)9-3-2-4-10(14)7-9/h2-4,7-8H,5-6H2,1H3
InChIKeyHKOUQQODTFKGCY-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.05
Rot. Bonds4

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

methyl 3-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]propanoate (PubChem CID 107039584) has the molecular formula C13H12FNO2S and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl 3-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]propanoate
PubChem CID107039584
Molecular FormulaC13H12FNO2S
Molecular Weight265.31 g/mol
Exact Mass265.06
IUPAC Namemethyl 3-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]propanoate
SMILESCOC(=O)CCc1csc(-c2cccc(F)c2)n1
InChIInChI=1S/C13H12FNO2S/c1-17-12(16)6-5-11-8-18-13(15-11)9-3-2-4-10(14)7-9/h2-4,7-8H,5-6H2,1H3
InChIKeyHKOUQQODTFKGCY-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

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Related Compounds

N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-2-methoxyethanesulfonamide
CID 7530807
methyl 3-[2-(2-fluoro-6-methylsulfanylphenyl)-1,3-thiazol-4-yl]propanoate
CID 107039730
methyl 3-[2-(2,3-dimethylphenyl)-1,3-thiazol-4-yl]propanoate
CID 107039611
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-propan-2-ylacetamide
CID 86920323
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-(3-methoxyphenyl)acetamide
CID 17443007
3-fluoro-N-[2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 110317449
methyl 3-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-4-yl]propanoate
CID 100677303
methyl 3-[2-(4-nitrophenyl)-1,3-thiazol-4-yl]propanoate
CID 107039821
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-(2-hydroxyethyl)acetamide
CID 78823529
2-[[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]butanoic acid
CID 119223235
(3-methyl-1,2-oxazol-5-yl)methyl 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetate
CID 43040371
3,4-diethoxy-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7518505

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]propanoate?
The IUPAC name of methyl 3-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]propanoate (CID 107039584) is methyl 3-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]propanoate.
What is the SMILES notation for methyl 3-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]propanoate?
The canonical SMILES for methyl 3-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]propanoate is COC(=O)CCc1csc(-c2cccc(F)c2)n1.
What is the InChIKey of methyl 3-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]propanoate?
The InChIKey is HKOUQQODTFKGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO2S/c1-17-12(16)6-5-11-8-18-13(15-11)9-3-2-4-10(14)7-9/h2-4,7-8H,5-6H2,1H3.
What are the key properties of methyl 3-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]propanoate?
methyl 3-[2-(3-fluorophenyl)-1,3-thiazol-4-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-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]propanoate is sourced from PubChem (CID 107039584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).