2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetic acid

C11H9FN2O2S — CID 1133217

IUPAC2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(Nc2ccc(F)cc2)n1
InChIInChI=1S/C11H9FN2O2S/c12-7-1-3-8(4-2-7)13-11-14-9(6-17-11)5-10(15)16/h1-4,6H,5H2,(H,13,14)(H,15,16)
InChIKeyDKMOQDZYPOFTDL-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.65
Rot. Bonds4

About 2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetic acid

2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetic acid (PubChem CID 1133217) has the molecular formula C11H9FN2O2S and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetic acid
PubChem CID1133217
Molecular FormulaC11H9FN2O2S
Molecular Weight252.27 g/mol
Exact Mass252.04
IUPAC Name2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(Nc2ccc(F)cc2)n1
InChIInChI=1S/C11H9FN2O2S/c12-7-1-3-8(4-2-7)13-11-14-9(6-17-11)5-10(15)16/h1-4,6H,5H2,(H,13,14)(H,15,16)
InChIKeyDKMOQDZYPOFTDL-UHFFFAOYSA-N
XLogP2.65
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-phenylanilino)-1,3-thiazol-4-yl]acetic acid
CID 58795522
N-(3,4-difluorophenyl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide
CID 30941160
2-[2-(4-fluoro-2-iodoanilino)-1,3-thiazol-4-yl]acetic acid
CID 80576564
2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-N-naphthalen-1-ylacetamide
CID 30941352
2-[2-(2,3,5-trifluoroanilino)-1,3-thiazol-4-yl]acetic acid
CID 80576751
N-(5-chloro-2-methylphenyl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide
CID 30941377
2-[2-[(2,5-difluorophenyl)methylamino]-1,3-thiazol-4-yl]acetic acid
CID 80576016
3-[[2-(4-fluoroanilino)-1,3-thiazole-4-carbonyl]amino]propanoic acid
CID 42813686
2-[2-(quinolin-6-ylamino)-1,3-thiazol-4-yl]acetic acid
CID 80576847
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(4-fluoroanilino)benzamide
CID 18139533
2-[2-[3-(dimethylamino)anilino]-1,3-thiazol-4-yl]acetic acid
CID 113297957
2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 27377889

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetic acid (CID 1133217) is 2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetic acid is O=C(O)Cc1csc(Nc2ccc(F)cc2)n1.
What is the InChIKey of 2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetic acid?
The InChIKey is DKMOQDZYPOFTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O2S/c12-7-1-3-8(4-2-7)13-11-14-9(6-17-11)5-10(15)16/h1-4,6H,5H2,(H,13,14)(H,15,16).
What are the key properties of 2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetic acid?
2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetic acid has a molecular weight of 252.27 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 1133217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).