2-(5-chloro-1,3-thiazol-2-yl)-2-(4-fluoroanilino)acetic acid

C11H8ClFN2O2S — CID 107124322

IUPAC2-(5-chloro-1,3-thiazol-2-yl)-2-(4-fluoroanilino)acetic acid
SMILESO=C(O)C(Nc1ccc(F)cc1)c1ncc(Cl)s1
InChIInChI=1S/C11H8ClFN2O2S/c12-8-5-14-10(18-8)9(11(16)17)15-7-3-1-6(13)2-4-7/h1-5,9,15H,(H,16,17)
InChIKeyZLYWMGJTYRLDHI-UHFFFAOYSA-N
MW286.72 g/mol
LogP3.17
Rot. Bonds4

About 2-(5-chloro-1,3-thiazol-2-yl)-2-(4-fluoroanilino)acetic acid

2-(5-chloro-1,3-thiazol-2-yl)-2-(4-fluoroanilino)acetic acid (PubChem CID 107124322) has the molecular formula C11H8ClFN2O2S and a molecular weight of 286.72 g/mol. Its IUPAC name is 2-(5-chloro-1,3-thiazol-2-yl)-2-(4-fluoroanilino)acetic acid.

Molecular Properties

Compound Name2-(5-chloro-1,3-thiazol-2-yl)-2-(4-fluoroanilino)acetic acid
PubChem CID107124322
Molecular FormulaC11H8ClFN2O2S
Molecular Weight286.72 g/mol
Exact Mass286.00
IUPAC Name2-(5-chloro-1,3-thiazol-2-yl)-2-(4-fluoroanilino)acetic acid
SMILESO=C(O)C(Nc1ccc(F)cc1)c1ncc(Cl)s1
InChIInChI=1S/C11H8ClFN2O2S/c12-8-5-14-10(18-8)9(11(16)17)15-7-3-1-6(13)2-4-7/h1-5,9,15H,(H,16,17)
InChIKeyZLYWMGJTYRLDHI-UHFFFAOYSA-N
XLogP3.17
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1,3-thiazol-2-yl)-2-(4-fluoroanilino)acetic acid?
The IUPAC name of 2-(5-chloro-1,3-thiazol-2-yl)-2-(4-fluoroanilino)acetic acid (CID 107124322) is 2-(5-chloro-1,3-thiazol-2-yl)-2-(4-fluoroanilino)acetic acid.
What is the SMILES notation for 2-(5-chloro-1,3-thiazol-2-yl)-2-(4-fluoroanilino)acetic acid?
The canonical SMILES for 2-(5-chloro-1,3-thiazol-2-yl)-2-(4-fluoroanilino)acetic acid is O=C(O)C(Nc1ccc(F)cc1)c1ncc(Cl)s1.
What is the InChIKey of 2-(5-chloro-1,3-thiazol-2-yl)-2-(4-fluoroanilino)acetic acid?
The InChIKey is ZLYWMGJTYRLDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2O2S/c12-8-5-14-10(18-8)9(11(16)17)15-7-3-1-6(13)2-4-7/h1-5,9,15H,(H,16,17).
What are the key properties of 2-(5-chloro-1,3-thiazol-2-yl)-2-(4-fluoroanilino)acetic acid?
2-(5-chloro-1,3-thiazol-2-yl)-2-(4-fluoroanilino)acetic acid has a molecular weight of 286.72 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1,3-thiazol-2-yl)-2-(4-fluoroanilino)acetic acid is sourced from PubChem (CID 107124322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).