2,4-diphenyl-1,3-thiazole-5-carboxylic acid

C16H11NO2S — CID 7131193

IUPAC2,4-diphenyl-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C16H11NO2S/c18-16(19)14-13(11-7-3-1-4-8-11)17-15(20-14)12-9-5-2-6-10-12/h1-10H,(H,18,19)
InChIKeyKMOCHRNIGWCEJV-UHFFFAOYSA-N
MW281.34 g/mol
LogP4.18
Rot. Bonds3

About 2,4-diphenyl-1,3-thiazole-5-carboxylic acid

2,4-diphenyl-1,3-thiazole-5-carboxylic acid (PubChem CID 7131193) has the molecular formula C16H11NO2S and a molecular weight of 281.34 g/mol. Its IUPAC name is 2,4-diphenyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2,4-diphenyl-1,3-thiazole-5-carboxylic acid
PubChem CID7131193
Molecular FormulaC16H11NO2S
Molecular Weight281.34 g/mol
Exact Mass281.05
IUPAC Name2,4-diphenyl-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C16H11NO2S/c18-16(19)14-13(11-7-3-1-4-8-11)17-15(20-14)12-9-5-2-6-10-12/h1-10H,(H,18,19)
InChIKeyKMOCHRNIGWCEJV-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 2,4-diphenyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2,4-diphenyl-1,3-thiazole-5-carboxylic acid (CID 7131193) is 2,4-diphenyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2,4-diphenyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2,4-diphenyl-1,3-thiazole-5-carboxylic acid is O=C(O)c1sc(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of 2,4-diphenyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is KMOCHRNIGWCEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO2S/c18-16(19)14-13(11-7-3-1-4-8-11)17-15(20-14)12-9-5-2-6-10-12/h1-10H,(H,18,19).
What are the key properties of 2,4-diphenyl-1,3-thiazole-5-carboxylic acid?
2,4-diphenyl-1,3-thiazole-5-carboxylic 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 2,4-diphenyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 7131193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).