2-[2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-1,3-thiazol-4-yl]acetic acid

C14H11F3N2O3S — CID 9153931

IUPAC2-[2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(CC(=O)Nc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C14H11F3N2O3S/c15-14(16,17)8-2-1-3-9(4-8)18-11(20)6-12-19-10(7-23-12)5-13(21)22/h1-4,7H,5-6H2,(H,18,20)(H,21,22)
InChIKeyJYACAOQJAPAAJY-UHFFFAOYSA-N
MW344.31 g/mol
LogP2.97
Rot. Bonds5

About 2-[2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-1,3-thiazol-4-yl]acetic acid

2-[2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-1,3-thiazol-4-yl]acetic acid (PubChem CID 9153931) has the molecular formula C14H11F3N2O3S and a molecular weight of 344.31 g/mol. Its IUPAC name is 2-[2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-1,3-thiazol-4-yl]acetic acid
PubChem CID9153931
Molecular FormulaC14H11F3N2O3S
Molecular Weight344.31 g/mol
Exact Mass344.04
IUPAC Name2-[2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(CC(=O)Nc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C14H11F3N2O3S/c15-14(16,17)8-2-1-3-9(4-8)18-11(20)6-12-19-10(7-23-12)5-13(21)22/h1-4,7H,5-6H2,(H,18,20)(H,21,22)
InChIKeyJYACAOQJAPAAJY-UHFFFAOYSA-N
XLogP2.97
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.31
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-1,3-thiazol-4-yl]acetic acid (CID 9153931) is 2-[2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-1,3-thiazol-4-yl]acetic acid is O=C(O)Cc1csc(CC(=O)Nc2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 2-[2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is JYACAOQJAPAAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O3S/c15-14(16,17)8-2-1-3-9(4-8)18-11(20)6-12-19-10(7-23-12)5-13(21)22/h1-4,7H,5-6H2,(H,18,20)(H,21,22).
What are the key properties of 2-[2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-1,3-thiazol-4-yl]acetic acid?
2-[2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 344.31 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 9153931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).