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

C10H6FNO2S — CID 18535345

IUPAC2-(2-fluorophenyl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2ccccc2F)s1
InChIInChI=1S/C10H6FNO2S/c11-7-4-2-1-3-6(7)9-12-5-8(15-9)10(13)14/h1-5H,(H,13,14)
InChIKeyXXKQUDUROIXGAP-UHFFFAOYSA-N
MW223.23 g/mol
LogP2.65
Rot. Bonds2

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

2-(2-fluorophenyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 18535345) has the molecular formula C10H6FNO2S and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-fluorophenyl)-1,3-thiazole-5-carboxylic acid
PubChem CID18535345
Molecular FormulaC10H6FNO2S
Molecular Weight223.23 g/mol
Exact Mass223.01
IUPAC Name2-(2-fluorophenyl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2ccccc2F)s1
InChIInChI=1S/C10H6FNO2S/c11-7-4-2-1-3-6(7)9-12-5-8(15-9)10(13)14/h1-5H,(H,13,14)
InChIKeyXXKQUDUROIXGAP-UHFFFAOYSA-N
XLogP2.65
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(2-fluorophenyl)-1,3-thiazole-5-carboxylic acid (CID 18535345) is 2-(2-fluorophenyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(2-fluorophenyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(2-fluorophenyl)-1,3-thiazole-5-carboxylic acid is O=C(O)c1cnc(-c2ccccc2F)s1.
What is the InChIKey of 2-(2-fluorophenyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is XXKQUDUROIXGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FNO2S/c11-7-4-2-1-3-6(7)9-12-5-8(15-9)10(13)14/h1-5H,(H,13,14).
What are the key properties of 2-(2-fluorophenyl)-1,3-thiazole-5-carboxylic acid?
2-(2-fluorophenyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 223.23 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 18535345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).