2-[2-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid

C18H15NO3S — CID 46230233

IUPAC2-[2-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid
SMILESCOc1ccc(-c2nc(-c3ccccc3)c(CC(=O)O)s2)cc1
InChIInChI=1S/C18H15NO3S/c1-22-14-9-7-13(8-10-14)18-19-17(12-5-3-2-4-6-12)15(23-18)11-16(20)21/h2-10H,11H2,1H3,(H,20,21)
InChIKeyYGUBMFNCHVKGQU-UHFFFAOYSA-N
MW325.39 g/mol
LogP4.11
Rot. Bonds5

About 2-[2-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid

2-[2-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid (PubChem CID 46230233) has the molecular formula C18H15NO3S and a molecular weight of 325.39 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid
PubChem CID46230233
Molecular FormulaC18H15NO3S
Molecular Weight325.39 g/mol
Exact Mass325.08
IUPAC Name2-[2-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid
SMILESCOc1ccc(-c2nc(-c3ccccc3)c(CC(=O)O)s2)cc1
InChIInChI=1S/C18H15NO3S/c1-22-14-9-7-13(8-10-14)18-19-17(12-5-3-2-4-6-12)15(23-18)11-16(20)21/h2-10H,11H2,1H3,(H,20,21)
InChIKeyYGUBMFNCHVKGQU-UHFFFAOYSA-N
XLogP4.11
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Itazigrel
CID 51087
[4-(3,4-Dimethoxy-phenyl)-2-methyl-thiazol-5-yl]-acetic acid
CID 5028133
2-[(1S)-5-{3-[4-(4,5-dimethyl-1,3-thiazol-2-yl)phenoxy]propoxy}-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 10003213
2-(4-Methoxyphenyl)-5-phenylthiazol-4-ol
CID 14425906
(S)-2-(5-(2-(5-methyl-2-p-tolylthiazol-4-yl)ethoxy)-2,3-dihydro-1H-inden-1-yl)acetic acid
CID 44442452
(2-(4-Methoxyphenyl)-1,3-thiazol-4-yl)acetic acid
CID 738083
2-[4-(4-Methoxyphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid
CID 772515
[2-(4-Chlorophenyl)-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]acetic acid
CID 4151303
3-{4-[4-Methyl-2-(4-trifluoromethyl-phenyl)-thiazol-5-ylmethoxy]-phenyl}-propionic acid
CID 9823501
3-{2-Methyl-4-[4-methyl-2-(4-trifluoromethyl-phenyl)-thiazol-5-ylmethoxy]-phenyl}-propionic acid
CID 9845832
Diethyl 4-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 9984974
ethyl (E)-3-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enoate
CID 10046226

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[2-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid (CID 46230233) is 2-[2-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid is COc1ccc(-c2nc(-c3ccccc3)c(CC(=O)O)s2)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid?
The InChIKey is YGUBMFNCHVKGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3S/c1-22-14-9-7-13(8-10-14)18-19-17(12-5-3-2-4-6-12)15(23-18)11-16(20)21/h2-10H,11H2,1H3,(H,20,21).
What are the key properties of 2-[2-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid?
2-[2-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid has a molecular weight of 325.39 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 46230233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).