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

C16H11NO2S — CID 1483684

IUPAC4-(4-phenyl-1,3-thiazol-2-yl)benzoic acid
SMILESO=C(O)c1ccc(-c2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C16H11NO2S/c18-16(19)13-8-6-12(7-9-13)15-17-14(10-20-15)11-4-2-1-3-5-11/h1-10H,(H,18,19)
InChIKeyWQTNWWULNLTMIX-UHFFFAOYSA-N
MW281.34 g/mol
LogP4.18
Rot. Bonds3

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

4-(4-phenyl-1,3-thiazol-2-yl)benzoic acid (PubChem CID 1483684) has the molecular formula C16H11NO2S and a molecular weight of 281.34 g/mol. Its IUPAC name is 4-(4-phenyl-1,3-thiazol-2-yl)benzoic acid.

Molecular Properties

Compound Name4-(4-phenyl-1,3-thiazol-2-yl)benzoic acid
PubChem CID1483684
Molecular FormulaC16H11NO2S
Molecular Weight281.34 g/mol
Exact Mass281.05
IUPAC Name4-(4-phenyl-1,3-thiazol-2-yl)benzoic acid
SMILESO=C(O)c1ccc(-c2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C16H11NO2S/c18-16(19)13-8-6-12(7-9-13)15-17-14(10-20-15)11-4-2-1-3-5-11/h1-10H,(H,18,19)
InChIKeyWQTNWWULNLTMIX-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 4-(4-phenyl-1,3-thiazol-2-yl)benzoic acid?
The IUPAC name of 4-(4-phenyl-1,3-thiazol-2-yl)benzoic acid (CID 1483684) is 4-(4-phenyl-1,3-thiazol-2-yl)benzoic acid.
What is the SMILES notation for 4-(4-phenyl-1,3-thiazol-2-yl)benzoic acid?
The canonical SMILES for 4-(4-phenyl-1,3-thiazol-2-yl)benzoic acid is O=C(O)c1ccc(-c2nc(-c3ccccc3)cs2)cc1.
What is the InChIKey of 4-(4-phenyl-1,3-thiazol-2-yl)benzoic acid?
The InChIKey is WQTNWWULNLTMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO2S/c18-16(19)13-8-6-12(7-9-13)15-17-14(10-20-15)11-4-2-1-3-5-11/h1-10H,(H,18,19).
What are the key properties of 4-(4-phenyl-1,3-thiazol-2-yl)benzoic acid?
4-(4-phenyl-1,3-thiazol-2-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 4-(4-phenyl-1,3-thiazol-2-yl)benzoic acid is sourced from PubChem (CID 1483684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).