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

C7H8FNO2S — CID 84771011

IUPAC3-[5-(fluoromethyl)-1,3-thiazol-2-yl]propanoic acid
SMILESO=C(O)CCc1ncc(CF)s1
InChIInChI=1S/C7H8FNO2S/c8-3-5-4-9-6(12-5)1-2-7(10)11/h4H,1-3H2,(H,10,11)
InChIKeyMSUZKRRKUQMZPH-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.63
Rot. Bonds4

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

3-[5-(fluoromethyl)-1,3-thiazol-2-yl]propanoic acid (PubChem CID 84771011) has the molecular formula C7H8FNO2S and a molecular weight of 189.21 g/mol. Its IUPAC name is 3-[5-(fluoromethyl)-1,3-thiazol-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-(fluoromethyl)-1,3-thiazol-2-yl]propanoic acid
PubChem CID84771011
Molecular FormulaC7H8FNO2S
Molecular Weight189.21 g/mol
Exact Mass189.03
IUPAC Name3-[5-(fluoromethyl)-1,3-thiazol-2-yl]propanoic acid
SMILESO=C(O)CCc1ncc(CF)s1
InChIInChI=1S/C7H8FNO2S/c8-3-5-4-9-6(12-5)1-2-7(10)11/h4H,1-3H2,(H,10,11)
InChIKeyMSUZKRRKUQMZPH-UHFFFAOYSA-N
XLogP1.63
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[5-(fluoromethyl)-1,3-thiazol-2-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

2-(2-Methyl-1,3-thiazol-5-yl)acetic acid
CID 6852046
5-Thiazoleacetic acid
CID 349439
4-[[5-(Trifluoromethyl)-1,3-thiazol-2-yl]sulfanyl]butanoic acid
CID 70482131
2,2-Difluoro-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetic acid
CID 106784032
2,2-Difluoro-2-[5-(trifluoromethyl)-1,3-thiazol-2-yl]acetic acid
CID 165918350
2-Fluoro-3-(1,3-thiazol-2-yl)propanoic acid
CID 79823854
2,2-Difluoro-3-(1,3-thiazol-2-yl)propanoic acid
CID 79824412
2-[5-(Trifluoromethyl)-1,3-thiazol-2-yl]acetic acid
CID 83848827
2-(2-Fluoro-1,3-thiazol-5-yl)acetic acid
CID 84651175
2-[5-(Fluoromethyl)-1,3-thiazol-2-yl]acetic acid
CID 84766830
2-[2-(Fluoromethyl)-1,3-thiazol-5-yl]acetic acid
CID 84766832
2-[5-(Fluoromethyl)-1,3-thiazol-2-yl]propanoic acid
CID 84771010

Frequently Asked Questions

What is the IUPAC name of 3-[5-(fluoromethyl)-1,3-thiazol-2-yl]propanoic acid?
The IUPAC name of 3-[5-(fluoromethyl)-1,3-thiazol-2-yl]propanoic acid (CID 84771011) is 3-[5-(fluoromethyl)-1,3-thiazol-2-yl]propanoic acid.
What is the SMILES notation for 3-[5-(fluoromethyl)-1,3-thiazol-2-yl]propanoic acid?
The canonical SMILES for 3-[5-(fluoromethyl)-1,3-thiazol-2-yl]propanoic acid is O=C(O)CCc1ncc(CF)s1.
What is the InChIKey of 3-[5-(fluoromethyl)-1,3-thiazol-2-yl]propanoic acid?
The InChIKey is MSUZKRRKUQMZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNO2S/c8-3-5-4-9-6(12-5)1-2-7(10)11/h4H,1-3H2,(H,10,11).
What are the key properties of 3-[5-(fluoromethyl)-1,3-thiazol-2-yl]propanoic acid?
3-[5-(fluoromethyl)-1,3-thiazol-2-yl]propanoic acid has a molecular weight of 189.21 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(fluoromethyl)-1,3-thiazol-2-yl]propanoic acid is sourced from PubChem (CID 84771011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).