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

C7H7F2NO2S — CID 84779357

IUPAC3-[5-(difluoromethyl)-1,3-thiazol-2-yl]propanoic acid
SMILESO=C(O)CCc1ncc(C(F)F)s1
InChIInChI=1S/C7H7F2NO2S/c8-7(9)4-3-10-5(13-4)1-2-6(11)12/h3,7H,1-2H2,(H,11,12)
InChIKeyDZBWLPFJGRECQF-UHFFFAOYSA-N
MW207.20 g/mol
LogP2.10
Rot. Bonds4

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

3-[5-(difluoromethyl)-1,3-thiazol-2-yl]propanoic acid (PubChem CID 84779357) has the molecular formula C7H7F2NO2S and a molecular weight of 207.20 g/mol. Its IUPAC name is 3-[5-(difluoromethyl)-1,3-thiazol-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-(difluoromethyl)-1,3-thiazol-2-yl]propanoic acid
PubChem CID84779357
Molecular FormulaC7H7F2NO2S
Molecular Weight207.20 g/mol
Exact Mass207.02
IUPAC Name3-[5-(difluoromethyl)-1,3-thiazol-2-yl]propanoic acid
SMILESO=C(O)CCc1ncc(C(F)F)s1
InChIInChI=1S/C7H7F2NO2S/c8-7(9)4-3-10-5(13-4)1-2-6(11)12/h3,7H,1-2H2,(H,11,12)
InChIKeyDZBWLPFJGRECQF-UHFFFAOYSA-N
XLogP2.10
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(difluoromethyl)-1,3-thiazol-2-yl]propanoic acid?
The IUPAC name of 3-[5-(difluoromethyl)-1,3-thiazol-2-yl]propanoic acid (CID 84779357) is 3-[5-(difluoromethyl)-1,3-thiazol-2-yl]propanoic acid.
What is the SMILES notation for 3-[5-(difluoromethyl)-1,3-thiazol-2-yl]propanoic acid?
The canonical SMILES for 3-[5-(difluoromethyl)-1,3-thiazol-2-yl]propanoic acid is O=C(O)CCc1ncc(C(F)F)s1.
What is the InChIKey of 3-[5-(difluoromethyl)-1,3-thiazol-2-yl]propanoic acid?
The InChIKey is DZBWLPFJGRECQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2NO2S/c8-7(9)4-3-10-5(13-4)1-2-6(11)12/h3,7H,1-2H2,(H,11,12).
What are the key properties of 3-[5-(difluoromethyl)-1,3-thiazol-2-yl]propanoic acid?
3-[5-(difluoromethyl)-1,3-thiazol-2-yl]propanoic acid has a molecular weight of 207.20 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(difluoromethyl)-1,3-thiazol-2-yl]propanoic acid is sourced from PubChem (CID 84779357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).