2,2,3-Trifluoro-3-(1,2-thiazol-4-yl)propanoic acid

C6H4F3NO2S — CID 165596883

IUPAC2,2,3-trifluoro-3-(1,2-thiazol-4-yl)propanoic acid
SMILESC1=C(C=NS1)C(C(C(=O)O)(F)F)F
InChIInChI=1S/C6H4F3NO2S/c7-4(3-1-10-13-2-3)6(8,9)5(11)12/h1-2,4H,(H,11,12)
InChIKeyNWRDHLNENIFADR-UHFFFAOYSA-N
MW211.16 g/mol
LogP1.40
Rot. Bonds3

About 2,2,3-Trifluoro-3-(1,2-thiazol-4-yl)propanoic acid

2,2,3-Trifluoro-3-(1,2-thiazol-4-yl)propanoic acid (PubChem CID 165596883) has the molecular formula C6H4F3NO2S and a molecular weight of 211.16 g/mol. Its IUPAC name is 2,2,3-trifluoro-3-(1,2-thiazol-4-yl)propanoic acid.

Molecular Properties

Compound Name2,2,3-Trifluoro-3-(1,2-thiazol-4-yl)propanoic acid
PubChem CID165596883
Molecular FormulaC6H4F3NO2S
Molecular Weight211.16 g/mol
Exact Mass210.99
IUPAC Name2,2,3-trifluoro-3-(1,2-thiazol-4-yl)propanoic acid
SMILESC1=C(C=NS1)C(C(C(=O)O)(F)F)F
InChIInChI=1S/C6H4F3NO2S/c7-4(3-1-10-13-2-3)6(8,9)5(11)12/h1-2,4H,(H,11,12)
InChIKeyNWRDHLNENIFADR-UHFFFAOYSA-N
XLogP1.40
TPSA78.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms13
Complexity214

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.16
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2,2,3-Trifluoro-3-(1,2-thiazol-4-yl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethyl 2,2-difluoro-3-(1,2-thiazol-4-yl)propanoate
CID 165464302
2,2-Difluoro-3-hydroxy-3-(1,2-thiazol-4-yl)propanoic acid
CID 165722456
2,2-Difluoro-3-(1,2-thiazol-4-yl)propanoic acid
CID 165834543
Ethyl 3-(1,2-thiazol-4-yl)propanoate
CID 68448519
3-(Isothiazol-4-yl)propanoic acid
CID 82595969
2-(1,2-Thiazol-4-yl)cyclopropane-1-carboxylic acid
CID 135344518
trans-(1R,2R)-2-(1,2-thiazol-4-yl)cyclopropane-1-carboxylic acid
CID 135344708
2-Oxo-3-(1,2-thiazol-4-yl)propanoic acid
CID 139891821
2-Amino-3-(1,2-thiazol-4-yl)propanoic acid
CID 82411877
(3R)-3-amino-3-(1,2-thiazol-4-yl)propanoic acid
CID 96740693
(3S)-3-amino-3-(1,2-thiazol-4-yl)propanoic acid
CID 96740694
3-Amino-3-(1,2-thiazol-4-yl)propanoic acid
CID 165531394

Frequently Asked Questions

What is the IUPAC name of 2,2,3-Trifluoro-3-(1,2-thiazol-4-yl)propanoic acid?
The IUPAC name of 2,2,3-Trifluoro-3-(1,2-thiazol-4-yl)propanoic acid (CID 165596883) is 2,2,3-trifluoro-3-(1,2-thiazol-4-yl)propanoic acid.
What is the SMILES notation for 2,2,3-Trifluoro-3-(1,2-thiazol-4-yl)propanoic acid?
The canonical SMILES for 2,2,3-Trifluoro-3-(1,2-thiazol-4-yl)propanoic acid is C1=C(C=NS1)C(C(C(=O)O)(F)F)F.
What is the InChIKey of 2,2,3-Trifluoro-3-(1,2-thiazol-4-yl)propanoic acid?
The InChIKey is NWRDHLNENIFADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3NO2S/c7-4(3-1-10-13-2-3)6(8,9)5(11)12/h1-2,4H,(H,11,12).
What are the key properties of 2,2,3-Trifluoro-3-(1,2-thiazol-4-yl)propanoic acid?
2,2,3-Trifluoro-3-(1,2-thiazol-4-yl)propanoic acid has a molecular weight of 211.16 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-Trifluoro-3-(1,2-thiazol-4-yl)propanoic acid is sourced from PubChem (CID 165596883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).