3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propanoic acid

C7H6F3NO2S — CID 106784034

IUPAC3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propanoic acid
SMILESO=C(O)CCc1cnc(C(F)(F)F)s1
InChIInChI=1S/C7H6F3NO2S/c8-7(9,10)6-11-3-4(14-6)1-2-5(12)13/h3H,1-2H2,(H,12,13)
InChIKeyMNILNSPZOOXEEJ-UHFFFAOYSA-N
MW225.19 g/mol
LogP2.18
Rot. Bonds3

About 3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propanoic acid

3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propanoic acid (PubChem CID 106784034) has the molecular formula C7H6F3NO2S and a molecular weight of 225.19 g/mol. Its IUPAC name is 3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propanoic acid
PubChem CID106784034
Molecular FormulaC7H6F3NO2S
Molecular Weight225.19 g/mol
Exact Mass225.01
IUPAC Name3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propanoic acid
SMILESO=C(O)CCc1cnc(C(F)(F)F)s1
InChIInChI=1S/C7H6F3NO2S/c8-7(9,10)6-11-3-4(14-6)1-2-5(12)13/h3H,1-2H2,(H,12,13)
InChIKeyMNILNSPZOOXEEJ-UHFFFAOYSA-N
XLogP2.18
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.19
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propanoate
CID 106784039
3-[2-(fluoromethyl)-1,3-thiazol-5-yl]propanoic acid
CID 84771017
3-[2-[2-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propanoic acid
CID 115091900
2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetaldehyde
CID 106784054
1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-3-ol
CID 106784203
5-(chloromethyl)-2-(trifluoromethyl)-1,3-thiazole
CID 15171128
5-(3-chlorobutyl)-2-(trifluoromethyl)-1,3-thiazole
CID 106784217
3-[2-(2-methylhydrazinyl)-1,3-thiazol-5-yl]propanoic acid
CID 91426781
N-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-2-amine
CID 106784073
N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 112639666
3-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]propanoic acid
CID 82424704
3-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-5-yl]propanoic acid
CID 82423049

Frequently Asked Questions

What is the IUPAC name of 3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propanoic acid?
The IUPAC name of 3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propanoic acid (CID 106784034) is 3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propanoic acid.
What is the SMILES notation for 3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propanoic acid?
The canonical SMILES for 3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propanoic acid is O=C(O)CCc1cnc(C(F)(F)F)s1.
What is the InChIKey of 3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propanoic acid?
The InChIKey is MNILNSPZOOXEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO2S/c8-7(9,10)6-11-3-4(14-6)1-2-5(12)13/h3H,1-2H2,(H,12,13).
What are the key properties of 3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propanoic acid?
3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propanoic acid has a molecular weight of 225.19 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propanoic acid is sourced from PubChem (CID 106784034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).