2-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]acetic acid

C18H15NO2S — CID 4566516

IUPAC2-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]acetic acid
SMILESO=C(O)Cc1nc(-c2ccc(Cc3ccccc3)cc2)cs1
InChIInChI=1S/C18H15NO2S/c20-18(21)11-17-19-16(12-22-17)15-8-6-14(7-9-15)10-13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,20,21)
InChIKeyZUSPQPXEGCQLKV-UHFFFAOYSA-N
MW309.39 g/mol
LogP4.03
Rot. Bonds5

About 2-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]acetic acid

2-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]acetic acid (PubChem CID 4566516) has the molecular formula C18H15NO2S and a molecular weight of 309.39 g/mol. Its IUPAC name is 2-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]acetic acid
PubChem CID4566516
Molecular FormulaC18H15NO2S
Molecular Weight309.39 g/mol
Exact Mass309.08
IUPAC Name2-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]acetic acid
SMILESO=C(O)Cc1nc(-c2ccc(Cc3ccccc3)cc2)cs1
InChIInChI=1S/C18H15NO2S/c20-18(21)11-17-19-16(12-22-17)15-8-6-14(7-9-15)10-13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,20,21)
InChIKeyZUSPQPXEGCQLKV-UHFFFAOYSA-N
XLogP4.03
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-benzyl-1,3-thiazol-4-yl)phenyl]methanamine
CID 63152013
2-[4-(4-ethylsulfanylphenyl)-1,3-thiazol-2-yl]acetic acid
CID 4264597
2-[4-(4-ethylsulfonylphenyl)-1,3-thiazol-2-yl]acetic acid
CID 4269847
N-benzyl-2-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
CID 9233048
N-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide
CID 43951129
N-benzyl-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 9232879
2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetic acid
CID 5228414
4-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzaldehyde
CID 79817502
2-[4-(2-methylphenyl)-1,3-thiazol-2-yl]acetic acid
CID 3962693
4-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]phenol
CID 53391458
1-(5-bromofuran-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanone
CID 115781573
2-[(4-fluorophenyl)methyl]-4-phenyl-1,3-thiazole
CID 47173323

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]acetic acid?
The IUPAC name of 2-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]acetic acid (CID 4566516) is 2-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]acetic acid?
The canonical SMILES for 2-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]acetic acid is O=C(O)Cc1nc(-c2ccc(Cc3ccccc3)cc2)cs1.
What is the InChIKey of 2-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]acetic acid?
The InChIKey is ZUSPQPXEGCQLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2S/c20-18(21)11-17-19-16(12-22-17)15-8-6-14(7-9-15)10-13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,20,21).
What are the key properties of 2-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]acetic acid?
2-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]acetic acid has a molecular weight of 309.39 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]acetic acid is sourced from PubChem (CID 4566516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).