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

C16H12N2O2S — CID 147405492

IUPAC3-(2-anilino-1,3-thiazol-4-yl)benzoic acid
SMILESO=C(O)c1cccc(-c2csc(Nc3ccccc3)n2)c1
InChIInChI=1S/C16H12N2O2S/c19-15(20)12-6-4-5-11(9-12)14-10-21-16(18-14)17-13-7-2-1-3-8-13/h1-10H,(H,17,18)(H,19,20)
InChIKeyDPOYTAJIQGXEAA-UHFFFAOYSA-N
MW296.35 g/mol
LogP4.25
Rot. Bonds4

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

3-(2-anilino-1,3-thiazol-4-yl)benzoic acid (PubChem CID 147405492) has the molecular formula C16H12N2O2S and a molecular weight of 296.35 g/mol. Its IUPAC name is 3-(2-anilino-1,3-thiazol-4-yl)benzoic acid.

Molecular Properties

Compound Name3-(2-anilino-1,3-thiazol-4-yl)benzoic acid
PubChem CID147405492
Molecular FormulaC16H12N2O2S
Molecular Weight296.35 g/mol
Exact Mass296.06
IUPAC Name3-(2-anilino-1,3-thiazol-4-yl)benzoic acid
SMILESO=C(O)c1cccc(-c2csc(Nc3ccccc3)n2)c1
InChIInChI=1S/C16H12N2O2S/c19-15(20)12-6-4-5-11(9-12)14-10-21-16(18-14)17-13-7-2-1-3-8-13/h1-10H,(H,17,18)(H,19,20)
InChIKeyDPOYTAJIQGXEAA-UHFFFAOYSA-N
XLogP4.25
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-anilino-1,3-thiazol-4-yl)benzoic acid?
The IUPAC name of 3-(2-anilino-1,3-thiazol-4-yl)benzoic acid (CID 147405492) is 3-(2-anilino-1,3-thiazol-4-yl)benzoic acid.
What is the SMILES notation for 3-(2-anilino-1,3-thiazol-4-yl)benzoic acid?
The canonical SMILES for 3-(2-anilino-1,3-thiazol-4-yl)benzoic acid is O=C(O)c1cccc(-c2csc(Nc3ccccc3)n2)c1.
What is the InChIKey of 3-(2-anilino-1,3-thiazol-4-yl)benzoic acid?
The InChIKey is DPOYTAJIQGXEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2S/c19-15(20)12-6-4-5-11(9-12)14-10-21-16(18-14)17-13-7-2-1-3-8-13/h1-10H,(H,17,18)(H,19,20).
What are the key properties of 3-(2-anilino-1,3-thiazol-4-yl)benzoic acid?
3-(2-anilino-1,3-thiazol-4-yl)benzoic acid has a molecular weight of 296.35 g/mol, XLogP of 4.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-anilino-1,3-thiazol-4-yl)benzoic acid is sourced from PubChem (CID 147405492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).