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

C11H9NO2S — CID 115006319

IUPAC2-phenyl-2-(1,3-thiazol-2-yl)acetic acid
SMILESO=C(O)C(c1ccccc1)c1nccs1
InChIInChI=1S/C11H9NO2S/c13-11(14)9(10-12-6-7-15-10)8-4-2-1-3-5-8/h1-7,9H,(H,13,14)
InChIKeyOBBSSKYKLDPCDB-UHFFFAOYSA-N
MW219.27 g/mol
LogP2.36
Rot. Bonds3

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

2-phenyl-2-(1,3-thiazol-2-yl)acetic acid (PubChem CID 115006319) has the molecular formula C11H9NO2S and a molecular weight of 219.27 g/mol. Its IUPAC name is 2-phenyl-2-(1,3-thiazol-2-yl)acetic acid.

Molecular Properties

Compound Name2-phenyl-2-(1,3-thiazol-2-yl)acetic acid
PubChem CID115006319
Molecular FormulaC11H9NO2S
Molecular Weight219.27 g/mol
Exact Mass219.04
IUPAC Name2-phenyl-2-(1,3-thiazol-2-yl)acetic acid
SMILESO=C(O)C(c1ccccc1)c1nccs1
InChIInChI=1S/C11H9NO2S/c13-11(14)9(10-12-6-7-15-10)8-4-2-1-3-5-8/h1-7,9H,(H,13,14)
InChIKeyOBBSSKYKLDPCDB-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-phenyl(1,3-thiazol-2-yl)methanol
CID 10511917
ethane;phenyl(1,3-thiazol-2-yl)methanol;hydrate
CID 142101108
4,5-diphenyl-2-(1,3-thiazol-2-yl)hexanoic acid
CID 69003827
(2R)-2-amino-2-(1,3-thiazol-2-yl)acetic acid
CID 22823511
N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-2-hydroxy-2-phenylacetamide
CID 111540388
barium(2+);2,2-diphenylacetic acid;hydride
CID 174636718
lithium;2,2-diphenylacetic acid;hydride
CID 174648923
2,5-dimethyl-N-[(R)-phenyl(1,3-thiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 124611260
5-(4-methylphenyl)-4-phenyl-2-(1,3-thiazol-2-yl)hexanoic acid
CID 69005170
(1R)-1-phenyl-3-[1-(1,3-thiazol-2-yl)ethylamino]propan-1-ol
CID 112742116
(1S,2S)-2-(benzylamino)-2-phenyl-1-(1,3-thiazol-2-yl)ethanol
CID 10543000
(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethanol
CID 154527868

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-(1,3-thiazol-2-yl)acetic acid?
The IUPAC name of 2-phenyl-2-(1,3-thiazol-2-yl)acetic acid (CID 115006319) is 2-phenyl-2-(1,3-thiazol-2-yl)acetic acid.
What is the SMILES notation for 2-phenyl-2-(1,3-thiazol-2-yl)acetic acid?
The canonical SMILES for 2-phenyl-2-(1,3-thiazol-2-yl)acetic acid is O=C(O)C(c1ccccc1)c1nccs1.
What is the InChIKey of 2-phenyl-2-(1,3-thiazol-2-yl)acetic acid?
The InChIKey is OBBSSKYKLDPCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2S/c13-11(14)9(10-12-6-7-15-10)8-4-2-1-3-5-8/h1-7,9H,(H,13,14).
What are the key properties of 2-phenyl-2-(1,3-thiazol-2-yl)acetic acid?
2-phenyl-2-(1,3-thiazol-2-yl)acetic acid has a molecular weight of 219.27 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-(1,3-thiazol-2-yl)acetic acid is sourced from PubChem (CID 115006319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).