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

C6H5F2NO2S — CID 84772566

IUPAC2-[2-(difluoromethyl)-1,3-thiazol-5-yl]acetic acid
SMILESO=C(O)Cc1cnc(C(F)F)s1
InChIInChI=1S/C6H5F2NO2S/c7-5(8)6-9-2-3(12-6)1-4(10)11/h2,5H,1H2,(H,10,11)
InChIKeyDLPAFWDGIALCFR-UHFFFAOYSA-N
MW193.17 g/mol
LogP1.71
Rot. Bonds3

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

2-[2-(difluoromethyl)-1,3-thiazol-5-yl]acetic acid (PubChem CID 84772566) has the molecular formula C6H5F2NO2S and a molecular weight of 193.17 g/mol. Its IUPAC name is 2-[2-(difluoromethyl)-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(difluoromethyl)-1,3-thiazol-5-yl]acetic acid
PubChem CID84772566
Molecular FormulaC6H5F2NO2S
Molecular Weight193.17 g/mol
Exact Mass193.00
IUPAC Name2-[2-(difluoromethyl)-1,3-thiazol-5-yl]acetic acid
SMILESO=C(O)Cc1cnc(C(F)F)s1
InChIInChI=1S/C6H5F2NO2S/c7-5(8)6-9-2-3(12-6)1-4(10)11/h2,5H,1H2,(H,10,11)
InChIKeyDLPAFWDGIALCFR-UHFFFAOYSA-N
XLogP1.71
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethyl)-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[2-(difluoromethyl)-1,3-thiazol-5-yl]acetic acid (CID 84772566) is 2-[2-(difluoromethyl)-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-(difluoromethyl)-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-(difluoromethyl)-1,3-thiazol-5-yl]acetic acid is O=C(O)Cc1cnc(C(F)F)s1.
What is the InChIKey of 2-[2-(difluoromethyl)-1,3-thiazol-5-yl]acetic acid?
The InChIKey is DLPAFWDGIALCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F2NO2S/c7-5(8)6-9-2-3(12-6)1-4(10)11/h2,5H,1H2,(H,10,11).
What are the key properties of 2-[2-(difluoromethyl)-1,3-thiazol-5-yl]acetic acid?
2-[2-(difluoromethyl)-1,3-thiazol-5-yl]acetic acid has a molecular weight of 193.17 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethyl)-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 84772566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).