3-(2-phenyl-1,3-thiazol-4-yl)benzoic acid

C16H11NO2S — CID 63152025

IUPAC3-(2-phenyl-1,3-thiazol-4-yl)benzoic acid
SMILESO=C(O)c1cccc(-c2csc(-c3ccccc3)n2)c1
InChIInChI=1S/C16H11NO2S/c18-16(19)13-8-4-7-12(9-13)14-10-20-15(17-14)11-5-2-1-3-6-11/h1-10H,(H,18,19)
InChIKeyBZUFUFRLRXXVSZ-UHFFFAOYSA-N
MW281.34 g/mol
LogP4.18
Rot. Bonds3

About 3-(2-phenyl-1,3-thiazol-4-yl)benzoic acid

3-(2-phenyl-1,3-thiazol-4-yl)benzoic acid (PubChem CID 63152025) has the molecular formula C16H11NO2S and a molecular weight of 281.34 g/mol. Its IUPAC name is 3-(2-phenyl-1,3-thiazol-4-yl)benzoic acid.

Molecular Properties

Compound Name3-(2-phenyl-1,3-thiazol-4-yl)benzoic acid
PubChem CID63152025
Molecular FormulaC16H11NO2S
Molecular Weight281.34 g/mol
Exact Mass281.05
IUPAC Name3-(2-phenyl-1,3-thiazol-4-yl)benzoic acid
SMILESO=C(O)c1cccc(-c2csc(-c3ccccc3)n2)c1
InChIInChI=1S/C16H11NO2S/c18-16(19)13-8-4-7-12(9-13)14-10-20-15(17-14)11-5-2-1-3-6-11/h1-10H,(H,18,19)
InChIKeyBZUFUFRLRXXVSZ-UHFFFAOYSA-N
XLogP4.18
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-phenyl-1,3-thiazol-4-yl)benzoic acid?
The IUPAC name of 3-(2-phenyl-1,3-thiazol-4-yl)benzoic acid (CID 63152025) is 3-(2-phenyl-1,3-thiazol-4-yl)benzoic acid.
What is the SMILES notation for 3-(2-phenyl-1,3-thiazol-4-yl)benzoic acid?
The canonical SMILES for 3-(2-phenyl-1,3-thiazol-4-yl)benzoic acid is O=C(O)c1cccc(-c2csc(-c3ccccc3)n2)c1.
What is the InChIKey of 3-(2-phenyl-1,3-thiazol-4-yl)benzoic acid?
The InChIKey is BZUFUFRLRXXVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO2S/c18-16(19)13-8-4-7-12(9-13)14-10-20-15(17-14)11-5-2-1-3-6-11/h1-10H,(H,18,19).
What are the key properties of 3-(2-phenyl-1,3-thiazol-4-yl)benzoic acid?
3-(2-phenyl-1,3-thiazol-4-yl)benzoic acid has a molecular weight of 281.34 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenyl-1,3-thiazol-4-yl)benzoic acid is sourced from PubChem (CID 63152025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).