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

C5H4FNO2S — CID 70368104

IUPAC4-(fluoromethyl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1scnc1CF
InChIInChI=1S/C5H4FNO2S/c6-1-3-4(5(8)9)10-2-7-3/h2H,1H2,(H,8,9)
InChIKeyXGTWXLSFEUFGRY-UHFFFAOYSA-N
MW161.16 g/mol
LogP1.31
Rot. Bonds2

About 4-(fluoromethyl)-1,3-thiazole-5-carboxylic acid

4-(fluoromethyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 70368104) has the molecular formula C5H4FNO2S and a molecular weight of 161.16 g/mol. Its IUPAC name is 4-(fluoromethyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(fluoromethyl)-1,3-thiazole-5-carboxylic acid
PubChem CID70368104
Molecular FormulaC5H4FNO2S
Molecular Weight161.16 g/mol
Exact Mass160.99
IUPAC Name4-(fluoromethyl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1scnc1CF
InChIInChI=1S/C5H4FNO2S/c6-1-3-4(5(8)9)10-2-7-3/h2H,1H2,(H,8,9)
InChIKeyXGTWXLSFEUFGRY-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 4-(fluoromethyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-(fluoromethyl)-1,3-thiazole-5-carboxylic acid (CID 70368104) is 4-(fluoromethyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-(fluoromethyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-(fluoromethyl)-1,3-thiazole-5-carboxylic acid is O=C(O)c1scnc1CF.
What is the InChIKey of 4-(fluoromethyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is XGTWXLSFEUFGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4FNO2S/c6-1-3-4(5(8)9)10-2-7-3/h2H,1H2,(H,8,9).
What are the key properties of 4-(fluoromethyl)-1,3-thiazole-5-carboxylic acid?
4-(fluoromethyl)-1,3-thiazole-5-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 4-(fluoromethyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 70368104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).