2-fluoro-3-(4-phenyl-1,3-thiazol-2-yl)propanoic acid

C12H10FNO2S — CID 79817950

IUPAC2-fluoro-3-(4-phenyl-1,3-thiazol-2-yl)propanoic acid
SMILESO=C(O)C(F)Cc1nc(-c2ccccc2)cs1
InChIInChI=1S/C12H10FNO2S/c13-9(12(15)16)6-11-14-10(7-17-11)8-4-2-1-3-5-8/h1-5,7,9H,6H2,(H,15,16)
InChIKeyRDXFQJYOBCLMPL-UHFFFAOYSA-N
MW251.28 g/mol
LogP2.78
Rot. Bonds4

About 2-fluoro-3-(4-phenyl-1,3-thiazol-2-yl)propanoic acid

2-fluoro-3-(4-phenyl-1,3-thiazol-2-yl)propanoic acid (PubChem CID 79817950) has the molecular formula C12H10FNO2S and a molecular weight of 251.28 g/mol. Its IUPAC name is 2-fluoro-3-(4-phenyl-1,3-thiazol-2-yl)propanoic acid.

Molecular Properties

Compound Name2-fluoro-3-(4-phenyl-1,3-thiazol-2-yl)propanoic acid
PubChem CID79817950
Molecular FormulaC12H10FNO2S
Molecular Weight251.28 g/mol
Exact Mass251.04
IUPAC Name2-fluoro-3-(4-phenyl-1,3-thiazol-2-yl)propanoic acid
SMILESO=C(O)C(F)Cc1nc(-c2ccccc2)cs1
InChIInChI=1S/C12H10FNO2S/c13-9(12(15)16)6-11-14-10(7-17-11)8-4-2-1-3-5-8/h1-5,7,9H,6H2,(H,15,16)
InChIKeyRDXFQJYOBCLMPL-UHFFFAOYSA-N
XLogP2.78
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanoic acid
CID 82118920
1,1-difluoro-N-methyl-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-amine
CID 103516844
4-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentane-2,3-diol
CID 103456577
1-cyclopropyl-2-(4-phenyl-1,3-thiazol-2-yl)ethanol
CID 79819550
N-ethyl-1,1-difluoro-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-amine
CID 103516842
triphenyl-[(4-phenyl-1,3-thiazol-2-yl)methyl]phosphanium
CID 23143294
3-(1,3-benzothiazol-2-yl)-2-fluoropropanoic acid
CID 79819155
4-(4-phenyl-1,3-thiazol-2-yl)butan-2-one
CID 82115866
1-(dimethylamino)-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-ol
CID 79820116
2,3-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 81010215
1-(2,5-dimethylpyrazol-3-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine
CID 105164424
1-(furan-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanol
CID 79820082

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(4-phenyl-1,3-thiazol-2-yl)propanoic acid?
The IUPAC name of 2-fluoro-3-(4-phenyl-1,3-thiazol-2-yl)propanoic acid (CID 79817950) is 2-fluoro-3-(4-phenyl-1,3-thiazol-2-yl)propanoic acid.
What is the SMILES notation for 2-fluoro-3-(4-phenyl-1,3-thiazol-2-yl)propanoic acid?
The canonical SMILES for 2-fluoro-3-(4-phenyl-1,3-thiazol-2-yl)propanoic acid is O=C(O)C(F)Cc1nc(-c2ccccc2)cs1.
What is the InChIKey of 2-fluoro-3-(4-phenyl-1,3-thiazol-2-yl)propanoic acid?
The InChIKey is RDXFQJYOBCLMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO2S/c13-9(12(15)16)6-11-14-10(7-17-11)8-4-2-1-3-5-8/h1-5,7,9H,6H2,(H,15,16).
What are the key properties of 2-fluoro-3-(4-phenyl-1,3-thiazol-2-yl)propanoic acid?
2-fluoro-3-(4-phenyl-1,3-thiazol-2-yl)propanoic acid has a molecular weight of 251.28 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(4-phenyl-1,3-thiazol-2-yl)propanoic acid is sourced from PubChem (CID 79817950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).