2-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]acetic acid

C7H6F3NO3S — CID 174738797

IUPAC2-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]acetic acid
SMILESO=C(O)Cc1cnc(OCC(F)(F)F)s1
InChIInChI=1S/C7H6F3NO3S/c8-7(9,10)3-14-6-11-2-4(15-6)1-5(12)13/h2H,1,3H2,(H,12,13)
InChIKeyMWGGHZPGSOIAPA-UHFFFAOYSA-N
MW241.19 g/mol
LogP1.71
Rot. Bonds4

About 2-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]acetic acid

2-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]acetic acid (PubChem CID 174738797) has the molecular formula C7H6F3NO3S and a molecular weight of 241.19 g/mol. Its IUPAC name is 2-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]acetic acid
PubChem CID174738797
Molecular FormulaC7H6F3NO3S
Molecular Weight241.19 g/mol
Exact Mass241.00
IUPAC Name2-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]acetic acid
SMILESO=C(O)Cc1cnc(OCC(F)(F)F)s1
InChIInChI=1S/C7H6F3NO3S/c8-7(9,10)3-14-6-11-2-4(15-6)1-5(12)13/h2H,1,3H2,(H,12,13)
InChIKeyMWGGHZPGSOIAPA-UHFFFAOYSA-N
XLogP1.71
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.19
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-Methyl-1,3-thiazol-5-yl)acetic acid
CID 6852046
5-Thiazoleacetic acid
CID 349439
Methyl 2-(1,3-thiazol-5-yl)acetate
CID 28811855
Ethyl 2-(2-bromo-1,3-thiazol-5-yl)acetate
CID 54136618
2-(1,3-Thiazol-5-yl)propanoic acid
CID 57471701
Methyl 2-(2-chloro-1,3-thiazol-5-yl)acetate
CID 71721406
2-Methyl-2-(1,3-thiazol-5-yl)propanoic acid
CID 165490479
2-(2-Chloro-1,3-thiazol-5-yl)-2,2-difluoroacetic acid
CID 154879069
Ethyl 2-(2-chloro-1,3-thiazol-5-yl)-2,2-difluoroacetate
CID 170912876
Ethyl 2-(thiazol-5-yl)acetate
CID 20358489
Ethyl (2-propyl-1,3-thiazol-5-yl)acetate
CID 54320013
Ethyl [2-(methylsulfanyl)-1,3-thiazol-5-yl]acetate
CID 71426524

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]acetic acid (CID 174738797) is 2-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]acetic acid is O=C(O)Cc1cnc(OCC(F)(F)F)s1.
What is the InChIKey of 2-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]acetic acid?
The InChIKey is MWGGHZPGSOIAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO3S/c8-7(9,10)3-14-6-11-2-4(15-6)1-5(12)13/h2H,1,3H2,(H,12,13).
What are the key properties of 2-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]acetic acid?
2-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]acetic acid has a molecular weight of 241.19 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 174738797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).