2-(2-fluoroanilino)-2-(1,3-thiazol-2-yl)propanoic acid

C12H11FN2O2S — CID 64990860

IUPAC2-(2-fluoroanilino)-2-(1,3-thiazol-2-yl)propanoic acid
SMILESCC(Nc1ccccc1F)(C(=O)O)c1nccs1
InChIInChI=1S/C12H11FN2O2S/c1-12(11(16)17,10-14-6-7-18-10)15-9-5-3-2-4-8(9)13/h2-7,15H,1H3,(H,16,17)
InChIKeyPQQYKUHNRHRLSQ-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.69
Rot. Bonds4

About 2-(2-fluoroanilino)-2-(1,3-thiazol-2-yl)propanoic acid

2-(2-fluoroanilino)-2-(1,3-thiazol-2-yl)propanoic acid (PubChem CID 64990860) has the molecular formula C12H11FN2O2S and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-(2-fluoroanilino)-2-(1,3-thiazol-2-yl)propanoic acid.

Molecular Properties

Compound Name2-(2-fluoroanilino)-2-(1,3-thiazol-2-yl)propanoic acid
PubChem CID64990860
Molecular FormulaC12H11FN2O2S
Molecular Weight266.30 g/mol
Exact Mass266.05
IUPAC Name2-(2-fluoroanilino)-2-(1,3-thiazol-2-yl)propanoic acid
SMILESCC(Nc1ccccc1F)(C(=O)O)c1nccs1
InChIInChI=1S/C12H11FN2O2S/c1-12(11(16)17,10-14-6-7-18-10)15-9-5-3-2-4-8(9)13/h2-7,15H,1H3,(H,16,17)
InChIKeyPQQYKUHNRHRLSQ-UHFFFAOYSA-N
XLogP2.69
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(2,6-difluorophenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]oxamide
CID 49567720
N-(3,5-difluorophenyl)-1,3-thiazole-2-carboxamide
CID 17816147
2-(4-Fluoroanilino)-2-(1,3-thiazol-2-yl)propanamide
CID 64991246
2-fluoro-N-phenyl-2-(1,3-thiazol-2-yl)acetamide
CID 66761458
N-(2-fluorophenyl)-1,3-thiazole-2-carboxamide
CID 69854775
N-(4-fluorophenyl)-1,3-thiazole-2-carboxamide
CID 17816060
N-(3-fluorophenyl)-1,3-thiazole-2-carboxamide
CID 17816182
N-(4-fluorophenyl)-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetamide
CID 61281425
N-(2-fluorophenyl)-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetamide
CID 61281623
N-(3-fluorophenyl)-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetamide
CID 61281624
N-(2,6-difluorophenyl)-2-[1-(1,3-thiazol-2-yl)ethylamino]acetamide
CID 64480413
N-(2,6-difluorophenyl)-2-[1-(1,3-thiazol-2-yl)propylamino]acetamide
CID 64480585

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroanilino)-2-(1,3-thiazol-2-yl)propanoic acid?
The IUPAC name of 2-(2-fluoroanilino)-2-(1,3-thiazol-2-yl)propanoic acid (CID 64990860) is 2-(2-fluoroanilino)-2-(1,3-thiazol-2-yl)propanoic acid.
What is the SMILES notation for 2-(2-fluoroanilino)-2-(1,3-thiazol-2-yl)propanoic acid?
The canonical SMILES for 2-(2-fluoroanilino)-2-(1,3-thiazol-2-yl)propanoic acid is CC(Nc1ccccc1F)(C(=O)O)c1nccs1.
What is the InChIKey of 2-(2-fluoroanilino)-2-(1,3-thiazol-2-yl)propanoic acid?
The InChIKey is PQQYKUHNRHRLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2S/c1-12(11(16)17,10-14-6-7-18-10)15-9-5-3-2-4-8(9)13/h2-7,15H,1H3,(H,16,17).
What are the key properties of 2-(2-fluoroanilino)-2-(1,3-thiazol-2-yl)propanoic acid?
2-(2-fluoroanilino)-2-(1,3-thiazol-2-yl)propanoic acid has a molecular weight of 266.30 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroanilino)-2-(1,3-thiazol-2-yl)propanoic acid is sourced from PubChem (CID 64990860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).