2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]benzoic acid

C16H10FNO2S — CID 153365674

IUPAC2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]benzoic acid
SMILESO=C(O)c1ccccc1-c1csc(-c2ccccc2F)n1
InChIInChI=1S/C16H10FNO2S/c17-13-8-4-3-7-12(13)15-18-14(9-21-15)10-5-1-2-6-11(10)16(19)20/h1-9H,(H,19,20)
InChIKeyKDIHOEBRCWZQEC-UHFFFAOYSA-N
MW299.33 g/mol
LogP4.31
Rot. Bonds3

About 2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]benzoic acid

2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]benzoic acid (PubChem CID 153365674) has the molecular formula C16H10FNO2S and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]benzoic acid.

Molecular Properties

Compound Name2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]benzoic acid
PubChem CID153365674
Molecular FormulaC16H10FNO2S
Molecular Weight299.33 g/mol
Exact Mass299.04
IUPAC Name2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]benzoic acid
SMILESO=C(O)c1ccccc1-c1csc(-c2ccccc2F)n1
InChIInChI=1S/C16H10FNO2S/c17-13-8-4-3-7-12(13)15-18-14(9-21-15)10-5-1-2-6-11(10)16(19)20/h1-9H,(H,19,20)
InChIKeyKDIHOEBRCWZQEC-UHFFFAOYSA-N
XLogP4.31
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]benzoic acid?
The IUPAC name of 2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]benzoic acid (CID 153365674) is 2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]benzoic acid.
What is the SMILES notation for 2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]benzoic acid?
The canonical SMILES for 2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]benzoic acid is O=C(O)c1ccccc1-c1csc(-c2ccccc2F)n1.
What is the InChIKey of 2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]benzoic acid?
The InChIKey is KDIHOEBRCWZQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FNO2S/c17-13-8-4-3-7-12(13)15-18-14(9-21-15)10-5-1-2-6-11(10)16(19)20/h1-9H,(H,19,20).
What are the key properties of 2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]benzoic acid?
2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]benzoic acid has a molecular weight of 299.33 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]benzoic acid is sourced from PubChem (CID 153365674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).