5-(fluoromethyl)-1,3-thiazole-2-carboxylic acid

C5H4FNO2S — CID 84764328

IUPAC5-(fluoromethyl)-1,3-thiazole-2-carboxylic acid
SMILESO=C(O)c1ncc(CF)s1
InChIInChI=1S/C5H4FNO2S/c6-1-3-2-7-4(10-3)5(8)9/h2H,1H2,(H,8,9)
InChIKeyRADUVKLGINSNSB-UHFFFAOYSA-N
MW161.16 g/mol
LogP1.31
Rot. Bonds2

About 5-(fluoromethyl)-1,3-thiazole-2-carboxylic acid

5-(fluoromethyl)-1,3-thiazole-2-carboxylic acid (PubChem CID 84764328) has the molecular formula C5H4FNO2S and a molecular weight of 161.16 g/mol. Its IUPAC name is 5-(fluoromethyl)-1,3-thiazole-2-carboxylic acid.

Molecular Properties

Compound Name5-(fluoromethyl)-1,3-thiazole-2-carboxylic acid
PubChem CID84764328
Molecular FormulaC5H4FNO2S
Molecular Weight161.16 g/mol
Exact Mass160.99
IUPAC Name5-(fluoromethyl)-1,3-thiazole-2-carboxylic acid
SMILESO=C(O)c1ncc(CF)s1
InChIInChI=1S/C5H4FNO2S/c6-1-3-2-7-4(10-3)5(8)9/h2H,1H2,(H,8,9)
InChIKeyRADUVKLGINSNSB-UHFFFAOYSA-N
XLogP1.31
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethyl)-1,3-thiazole-2-carboxylic acid?
The IUPAC name of 5-(fluoromethyl)-1,3-thiazole-2-carboxylic acid (CID 84764328) is 5-(fluoromethyl)-1,3-thiazole-2-carboxylic acid.
What is the SMILES notation for 5-(fluoromethyl)-1,3-thiazole-2-carboxylic acid?
The canonical SMILES for 5-(fluoromethyl)-1,3-thiazole-2-carboxylic acid is O=C(O)c1ncc(CF)s1.
What is the InChIKey of 5-(fluoromethyl)-1,3-thiazole-2-carboxylic acid?
The InChIKey is RADUVKLGINSNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4FNO2S/c6-1-3-2-7-4(10-3)5(8)9/h2H,1H2,(H,8,9).
What are the key properties of 5-(fluoromethyl)-1,3-thiazole-2-carboxylic acid?
5-(fluoromethyl)-1,3-thiazole-2-carboxylic acid has a molecular weight of 161.16 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethyl)-1,3-thiazole-2-carboxylic acid is sourced from PubChem (CID 84764328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).