2-(2,4-diphenyl-1,3-thiazol-5-yl)acetic acid

C17H13NO2S — CID 2763923

IUPAC2-(2,4-diphenyl-1,3-thiazol-5-yl)acetic acid
SMILESO=C(O)Cc1sc(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C17H13NO2S/c19-15(20)11-14-16(12-7-3-1-4-8-12)18-17(21-14)13-9-5-2-6-10-13/h1-10H,11H2,(H,19,20)
InChIKeyWNGOHXAHAKLKAR-UHFFFAOYSA-N
MW295.36 g/mol
LogP4.10
Rot. Bonds4

About 2-(2,4-diphenyl-1,3-thiazol-5-yl)acetic acid

2-(2,4-diphenyl-1,3-thiazol-5-yl)acetic acid (PubChem CID 2763923) has the molecular formula C17H13NO2S and a molecular weight of 295.36 g/mol. Its IUPAC name is 2-(2,4-diphenyl-1,3-thiazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-(2,4-diphenyl-1,3-thiazol-5-yl)acetic acid
PubChem CID2763923
Molecular FormulaC17H13NO2S
Molecular Weight295.36 g/mol
Exact Mass295.07
IUPAC Name2-(2,4-diphenyl-1,3-thiazol-5-yl)acetic acid
SMILESO=C(O)Cc1sc(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C17H13NO2S/c19-15(20)11-14-16(12-7-3-1-4-8-12)18-17(21-14)13-9-5-2-6-10-13/h1-10H,11H2,(H,19,20)
InChIKeyWNGOHXAHAKLKAR-UHFFFAOYSA-N
XLogP4.10
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-diphenyl-1,3-thiazol-5-yl)acetic acid?
The IUPAC name of 2-(2,4-diphenyl-1,3-thiazol-5-yl)acetic acid (CID 2763923) is 2-(2,4-diphenyl-1,3-thiazol-5-yl)acetic acid.
What is the SMILES notation for 2-(2,4-diphenyl-1,3-thiazol-5-yl)acetic acid?
The canonical SMILES for 2-(2,4-diphenyl-1,3-thiazol-5-yl)acetic acid is O=C(O)Cc1sc(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of 2-(2,4-diphenyl-1,3-thiazol-5-yl)acetic acid?
The InChIKey is WNGOHXAHAKLKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO2S/c19-15(20)11-14-16(12-7-3-1-4-8-12)18-17(21-14)13-9-5-2-6-10-13/h1-10H,11H2,(H,19,20).
What are the key properties of 2-(2,4-diphenyl-1,3-thiazol-5-yl)acetic acid?
2-(2,4-diphenyl-1,3-thiazol-5-yl)acetic acid has a molecular weight of 295.36 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-diphenyl-1,3-thiazol-5-yl)acetic acid is sourced from PubChem (CID 2763923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).