2-[(4-fluorophenyl)methyl]-1,3-thiazole-5-carboxylic acid

C11H8FNO2S — CID 43156419

IUPAC2-[(4-fluorophenyl)methyl]-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(Cc2ccc(F)cc2)s1
InChIInChI=1S/C11H8FNO2S/c12-8-3-1-7(2-4-8)5-10-13-6-9(16-10)11(14)15/h1-4,6H,5H2,(H,14,15)
InChIKeyCRJSAVSSWSJYLR-UHFFFAOYSA-N
MW237.25 g/mol
LogP2.57
Rot. Bonds3

About 2-[(4-fluorophenyl)methyl]-1,3-thiazole-5-carboxylic acid

2-[(4-fluorophenyl)methyl]-1,3-thiazole-5-carboxylic acid (PubChem CID 43156419) has the molecular formula C11H8FNO2S and a molecular weight of 237.25 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-1,3-thiazole-5-carboxylic acid
PubChem CID43156419
Molecular FormulaC11H8FNO2S
Molecular Weight237.25 g/mol
Exact Mass237.03
IUPAC Name2-[(4-fluorophenyl)methyl]-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(Cc2ccc(F)cc2)s1
InChIInChI=1S/C11H8FNO2S/c12-8-3-1-7(2-4-8)5-10-13-6-9(16-10)11(14)15/h1-4,6H,5H2,(H,14,15)
InChIKeyCRJSAVSSWSJYLR-UHFFFAOYSA-N
XLogP2.57
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-1,3-thiazole-5-carboxylic acid (CID 43156419) is 2-[(4-fluorophenyl)methyl]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-1,3-thiazole-5-carboxylic acid is O=C(O)c1cnc(Cc2ccc(F)cc2)s1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-1,3-thiazole-5-carboxylic acid?
The InChIKey is CRJSAVSSWSJYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO2S/c12-8-3-1-7(2-4-8)5-10-13-6-9(16-10)11(14)15/h1-4,6H,5H2,(H,14,15).
What are the key properties of 2-[(4-fluorophenyl)methyl]-1,3-thiazole-5-carboxylic acid?
2-[(4-fluorophenyl)methyl]-1,3-thiazole-5-carboxylic acid has a molecular weight of 237.25 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 43156419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).