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

C24H19NO2S — CID 46230226

IUPAC2-(2-benzhydryl-4-phenyl-1,3-thiazol-5-yl)acetic acid
SMILESO=C(O)Cc1sc(C(c2ccccc2)c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C24H19NO2S/c26-21(27)16-20-23(19-14-8-3-9-15-19)25-24(28-20)22(17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-15,22H,16H2,(H,26,27)
InChIKeyGSFLUFCQJVKCFD-UHFFFAOYSA-N
MW385.49 g/mol
LogP5.62
Rot. Bonds6

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

2-(2-benzhydryl-4-phenyl-1,3-thiazol-5-yl)acetic acid (PubChem CID 46230226) has the molecular formula C24H19NO2S and a molecular weight of 385.49 g/mol. Its IUPAC name is 2-(2-benzhydryl-4-phenyl-1,3-thiazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-(2-benzhydryl-4-phenyl-1,3-thiazol-5-yl)acetic acid
PubChem CID46230226
Molecular FormulaC24H19NO2S
Molecular Weight385.49 g/mol
Exact Mass385.11
IUPAC Name2-(2-benzhydryl-4-phenyl-1,3-thiazol-5-yl)acetic acid
SMILESO=C(O)Cc1sc(C(c2ccccc2)c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C24H19NO2S/c26-21(27)16-20-23(19-14-8-3-9-15-19)25-24(28-20)22(17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-15,22H,16H2,(H,26,27)
InChIKeyGSFLUFCQJVKCFD-UHFFFAOYSA-N
XLogP5.62
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.49
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-benzhydryl-4-phenyl-1,3-thiazol-5-yl)acetic acid?
The IUPAC name of 2-(2-benzhydryl-4-phenyl-1,3-thiazol-5-yl)acetic acid (CID 46230226) is 2-(2-benzhydryl-4-phenyl-1,3-thiazol-5-yl)acetic acid.
What is the SMILES notation for 2-(2-benzhydryl-4-phenyl-1,3-thiazol-5-yl)acetic acid?
The canonical SMILES for 2-(2-benzhydryl-4-phenyl-1,3-thiazol-5-yl)acetic acid is O=C(O)Cc1sc(C(c2ccccc2)c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of 2-(2-benzhydryl-4-phenyl-1,3-thiazol-5-yl)acetic acid?
The InChIKey is GSFLUFCQJVKCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO2S/c26-21(27)16-20-23(19-14-8-3-9-15-19)25-24(28-20)22(17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-15,22H,16H2,(H,26,27).
What are the key properties of 2-(2-benzhydryl-4-phenyl-1,3-thiazol-5-yl)acetic acid?
2-(2-benzhydryl-4-phenyl-1,3-thiazol-5-yl)acetic acid has a molecular weight of 385.49 g/mol, XLogP of 5.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzhydryl-4-phenyl-1,3-thiazol-5-yl)acetic acid is sourced from PubChem (CID 46230226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).