2-phenyl-2-[6-(2-phenyl-1,3-thiazol-4-yl)naphthalen-2-yl]oxypropanoic acid

C28H21NO3S — CID 141139041

IUPAC2-phenyl-2-[6-(2-phenyl-1,3-thiazol-4-yl)naphthalen-2-yl]oxypropanoic acid
SMILESCC(Oc1ccc2cc(-c3csc(-c4ccccc4)n3)ccc2c1)(C(=O)O)c1ccccc1
InChIInChI=1S/C28H21NO3S/c1-28(27(30)31,23-10-6-3-7-11-23)32-24-15-14-20-16-22(13-12-21(20)17-24)25-18-33-26(29-25)19-8-4-2-5-9-19/h2-18H,1H3,(H,30,31)
InChIKeyOQULEYUVWJRODZ-UHFFFAOYSA-N
MW451.55 g/mol
LogP7.01
Rot. Bonds6

About 2-phenyl-2-[6-(2-phenyl-1,3-thiazol-4-yl)naphthalen-2-yl]oxypropanoic acid

2-phenyl-2-[6-(2-phenyl-1,3-thiazol-4-yl)naphthalen-2-yl]oxypropanoic acid (PubChem CID 141139041) has the molecular formula C28H21NO3S and a molecular weight of 451.55 g/mol. Its IUPAC name is 2-phenyl-2-[6-(2-phenyl-1,3-thiazol-4-yl)naphthalen-2-yl]oxypropanoic acid.

Molecular Properties

Compound Name2-phenyl-2-[6-(2-phenyl-1,3-thiazol-4-yl)naphthalen-2-yl]oxypropanoic acid
PubChem CID141139041
Molecular FormulaC28H21NO3S
Molecular Weight451.55 g/mol
Exact Mass451.12
IUPAC Name2-phenyl-2-[6-(2-phenyl-1,3-thiazol-4-yl)naphthalen-2-yl]oxypropanoic acid
SMILESCC(Oc1ccc2cc(-c3csc(-c4ccccc4)n3)ccc2c1)(C(=O)O)c1ccccc1
InChIInChI=1S/C28H21NO3S/c1-28(27(30)31,23-10-6-3-7-11-23)32-24-15-14-20-16-22(13-12-21(20)17-24)25-18-33-26(29-25)19-8-4-2-5-9-19/h2-18H,1H3,(H,30,31)
InChIKeyOQULEYUVWJRODZ-UHFFFAOYSA-N
XLogP7.01
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.55
LogP ≤ 57.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-2-[[7-(4-phenyl-1,3-thiazol-2-yl)naphthalene-2-carbonyl]amino]propanoic acid
CID 90303324
2-(4-methoxyphenyl)-4-phenyl-1,3-thiazole;hydrobromide
CID 171114672
2-methoxy-5-(2-phenyl-1,3-thiazol-4-yl)benzoic acid
CID 18707150
4-naphthalen-2-yloxy-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 108751489
2-(4-naphthalen-1-ylphenoxy)-2-phenylpropanoic acid
CID 177379160
methyl 3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzoate
CID 18613878
1-(4-tert-butylphenyl)-3-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
CID 121086466
2,2-dimethyl-3-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]propanoic acid
CID 79622789
4-[3-(difluoromethoxy)phenyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 2742540
4-[(2-methylpropan-2-yl)oxy]-2-phenyl-1,3-thiazole
CID 91170369
4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]benzoic acid
CID 1473794
N-methyl-4-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 1483692

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-[6-(2-phenyl-1,3-thiazol-4-yl)naphthalen-2-yl]oxypropanoic acid?
The IUPAC name of 2-phenyl-2-[6-(2-phenyl-1,3-thiazol-4-yl)naphthalen-2-yl]oxypropanoic acid (CID 141139041) is 2-phenyl-2-[6-(2-phenyl-1,3-thiazol-4-yl)naphthalen-2-yl]oxypropanoic acid.
What is the SMILES notation for 2-phenyl-2-[6-(2-phenyl-1,3-thiazol-4-yl)naphthalen-2-yl]oxypropanoic acid?
The canonical SMILES for 2-phenyl-2-[6-(2-phenyl-1,3-thiazol-4-yl)naphthalen-2-yl]oxypropanoic acid is CC(Oc1ccc2cc(-c3csc(-c4ccccc4)n3)ccc2c1)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-phenyl-2-[6-(2-phenyl-1,3-thiazol-4-yl)naphthalen-2-yl]oxypropanoic acid?
The InChIKey is OQULEYUVWJRODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21NO3S/c1-28(27(30)31,23-10-6-3-7-11-23)32-24-15-14-20-16-22(13-12-21(20)17-24)25-18-33-26(29-25)19-8-4-2-5-9-19/h2-18H,1H3,(H,30,31).
What are the key properties of 2-phenyl-2-[6-(2-phenyl-1,3-thiazol-4-yl)naphthalen-2-yl]oxypropanoic acid?
2-phenyl-2-[6-(2-phenyl-1,3-thiazol-4-yl)naphthalen-2-yl]oxypropanoic acid has a molecular weight of 451.55 g/mol, XLogP of 7.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-[6-(2-phenyl-1,3-thiazol-4-yl)naphthalen-2-yl]oxypropanoic acid is sourced from PubChem (CID 141139041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).