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

C6H6FNO2S — CID 84766832

IUPAC2-[2-(fluoromethyl)-1,3-thiazol-5-yl]acetic acid
SMILESO=C(O)Cc1cnc(CF)s1
InChIInChI=1S/C6H6FNO2S/c7-2-5-8-3-4(11-5)1-6(9)10/h3H,1-2H2,(H,9,10)
InChIKeyMJRFYDFKLRRGQV-UHFFFAOYSA-N
MW175.18 g/mol
LogP1.24
Rot. Bonds3

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

2-[2-(fluoromethyl)-1,3-thiazol-5-yl]acetic acid (PubChem CID 84766832) has the molecular formula C6H6FNO2S and a molecular weight of 175.18 g/mol. Its IUPAC name is 2-[2-(fluoromethyl)-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(fluoromethyl)-1,3-thiazol-5-yl]acetic acid
PubChem CID84766832
Molecular FormulaC6H6FNO2S
Molecular Weight175.18 g/mol
Exact Mass175.01
IUPAC Name2-[2-(fluoromethyl)-1,3-thiazol-5-yl]acetic acid
SMILESO=C(O)Cc1cnc(CF)s1
InChIInChI=1S/C6H6FNO2S/c7-2-5-8-3-4(11-5)1-6(9)10/h3H,1-2H2,(H,9,10)
InChIKeyMJRFYDFKLRRGQV-UHFFFAOYSA-N
XLogP1.24
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(fluoromethyl)-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[2-(fluoromethyl)-1,3-thiazol-5-yl]acetic acid (CID 84766832) is 2-[2-(fluoromethyl)-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-(fluoromethyl)-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-(fluoromethyl)-1,3-thiazol-5-yl]acetic acid is O=C(O)Cc1cnc(CF)s1.
What is the InChIKey of 2-[2-(fluoromethyl)-1,3-thiazol-5-yl]acetic acid?
The InChIKey is MJRFYDFKLRRGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FNO2S/c7-2-5-8-3-4(11-5)1-6(9)10/h3H,1-2H2,(H,9,10).
What are the key properties of 2-[2-(fluoromethyl)-1,3-thiazol-5-yl]acetic acid?
2-[2-(fluoromethyl)-1,3-thiazol-5-yl]acetic acid has a molecular weight of 175.18 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(fluoromethyl)-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 84766832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).