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

C11H9NO2S — CID 701757

IUPAC2-(2-phenyl-1,3-thiazol-4-yl)acetic acid
SMILESO=C(O)Cc1csc(-c2ccccc2)n1
InChIInChI=1S/C11H9NO2S/c13-10(14)6-9-7-15-11(12-9)8-4-2-1-3-5-8/h1-5,7H,6H2,(H,13,14)
InChIKeyLYHDWKGJPJRCTG-UHFFFAOYSA-N
MW219.27 g/mol
LogP2.44
Rot. Bonds3

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

2-(2-phenyl-1,3-thiazol-4-yl)acetic acid (PubChem CID 701757) has the molecular formula C11H9NO2S and a molecular weight of 219.27 g/mol. Its IUPAC name is 2-(2-phenyl-1,3-thiazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(2-phenyl-1,3-thiazol-4-yl)acetic acid
PubChem CID701757
Molecular FormulaC11H9NO2S
Molecular Weight219.27 g/mol
Exact Mass219.04
IUPAC Name2-(2-phenyl-1,3-thiazol-4-yl)acetic acid
SMILESO=C(O)Cc1csc(-c2ccccc2)n1
InChIInChI=1S/C11H9NO2S/c13-10(14)6-9-7-15-11(12-9)8-4-2-1-3-5-8/h1-5,7H,6H2,(H,13,14)
InChIKeyLYHDWKGJPJRCTG-UHFFFAOYSA-N
XLogP2.44
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenyl-1,3-thiazol-4-yl)acetic acid?
The IUPAC name of 2-(2-phenyl-1,3-thiazol-4-yl)acetic acid (CID 701757) is 2-(2-phenyl-1,3-thiazol-4-yl)acetic acid.
What is the SMILES notation for 2-(2-phenyl-1,3-thiazol-4-yl)acetic acid?
The canonical SMILES for 2-(2-phenyl-1,3-thiazol-4-yl)acetic acid is O=C(O)Cc1csc(-c2ccccc2)n1.
What is the InChIKey of 2-(2-phenyl-1,3-thiazol-4-yl)acetic acid?
The InChIKey is LYHDWKGJPJRCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2S/c13-10(14)6-9-7-15-11(12-9)8-4-2-1-3-5-8/h1-5,7H,6H2,(H,13,14).
What are the key properties of 2-(2-phenyl-1,3-thiazol-4-yl)acetic acid?
2-(2-phenyl-1,3-thiazol-4-yl)acetic acid has a molecular weight of 219.27 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenyl-1,3-thiazol-4-yl)acetic acid is sourced from PubChem (CID 701757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).