3-[2-[4-(difluoromethoxy)phenyl]-1,3-thiazol-4-yl]propanoic acid

C13H11F2NO3S — CID 103485230

IUPAC3-[2-[4-(difluoromethoxy)phenyl]-1,3-thiazol-4-yl]propanoic acid
SMILESO=C(O)CCc1csc(-c2ccc(OC(F)F)cc2)n1
InChIInChI=1S/C13H11F2NO3S/c14-13(15)19-10-4-1-8(2-5-10)12-16-9(7-20-12)3-6-11(17)18/h1-2,4-5,7,13H,3,6H2,(H,17,18)
InChIKeyMGECXPXITSYXRU-UHFFFAOYSA-N
MW299.30 g/mol
LogP3.43
Rot. Bonds6

About 3-[2-[4-(difluoromethoxy)phenyl]-1,3-thiazol-4-yl]propanoic acid

3-[2-[4-(difluoromethoxy)phenyl]-1,3-thiazol-4-yl]propanoic acid (PubChem CID 103485230) has the molecular formula C13H11F2NO3S and a molecular weight of 299.30 g/mol. Its IUPAC name is 3-[2-[4-(difluoromethoxy)phenyl]-1,3-thiazol-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-[4-(difluoromethoxy)phenyl]-1,3-thiazol-4-yl]propanoic acid
PubChem CID103485230
Molecular FormulaC13H11F2NO3S
Molecular Weight299.30 g/mol
Exact Mass299.04
IUPAC Name3-[2-[4-(difluoromethoxy)phenyl]-1,3-thiazol-4-yl]propanoic acid
SMILESO=C(O)CCc1csc(-c2ccc(OC(F)F)cc2)n1
InChIInChI=1S/C13H11F2NO3S/c14-13(15)19-10-4-1-8(2-5-10)12-16-9(7-20-12)3-6-11(17)18/h1-2,4-5,7,13H,3,6H2,(H,17,18)
InChIKeyMGECXPXITSYXRU-UHFFFAOYSA-N
XLogP3.43
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[2-[4-(difluoromethoxy)phenyl]-1,3-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

3-[2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-4-yl]propanoic acid
CID 103485252
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 51201922
[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl 4-(difluoromethoxy)benzoate
CID 7234387
N-[4-(difluoromethoxy)phenyl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 31762041
3-[2-[4-(4-carbamimidoylphenyl)phenyl]-1,3-thiazol-4-yl]propanoic acid
CID 19376363
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-phenyl-1,3-thiazol-4-yl)acetate
CID 55358925
N-tert-butyl-3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]propanamide
CID 110333309
3-[2-(2-fluoro-6-methylsulfanylphenyl)-1,3-thiazol-4-yl]propanoic acid
CID 103485544
5-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-4-oxopentanoic acid
CID 159789278
3-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]-propan-2-ylamino]propanoic acid
CID 119207484
2-fluoro-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetic acid
CID 79357223
5-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-4-oxopentanoic acid
CID 159430012

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(difluoromethoxy)phenyl]-1,3-thiazol-4-yl]propanoic acid?
The IUPAC name of 3-[2-[4-(difluoromethoxy)phenyl]-1,3-thiazol-4-yl]propanoic acid (CID 103485230) is 3-[2-[4-(difluoromethoxy)phenyl]-1,3-thiazol-4-yl]propanoic acid.
What is the SMILES notation for 3-[2-[4-(difluoromethoxy)phenyl]-1,3-thiazol-4-yl]propanoic acid?
The canonical SMILES for 3-[2-[4-(difluoromethoxy)phenyl]-1,3-thiazol-4-yl]propanoic acid is O=C(O)CCc1csc(-c2ccc(OC(F)F)cc2)n1.
What is the InChIKey of 3-[2-[4-(difluoromethoxy)phenyl]-1,3-thiazol-4-yl]propanoic acid?
The InChIKey is MGECXPXITSYXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2NO3S/c14-13(15)19-10-4-1-8(2-5-10)12-16-9(7-20-12)3-6-11(17)18/h1-2,4-5,7,13H,3,6H2,(H,17,18).
What are the key properties of 3-[2-[4-(difluoromethoxy)phenyl]-1,3-thiazol-4-yl]propanoic acid?
3-[2-[4-(difluoromethoxy)phenyl]-1,3-thiazol-4-yl]propanoic acid has a molecular weight of 299.30 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(difluoromethoxy)phenyl]-1,3-thiazol-4-yl]propanoic acid is sourced from PubChem (CID 103485230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).