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

C20H17NO3S — CID 6450669

IUPAC2-[2-[(E)-2-(4-methoxyphenyl)ethenyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid
SMILESCOc1ccc(/C=C/c2nc(-c3ccccc3)c(CC(=O)O)s2)cc1
InChIInChI=1S/C20H17NO3S/c1-24-16-10-7-14(8-11-16)9-12-18-21-20(15-5-3-2-4-6-15)17(25-18)13-19(22)23/h2-12H,13H2,1H3,(H,22,23)/b12-9+
InChIKeyZLYSMYDHRJNNNW-FMIVXFBMSA-N
MW351.43 g/mol
LogP4.62
Rot. Bonds6

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

2-[2-[(E)-2-(4-methoxyphenyl)ethenyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid (PubChem CID 6450669) has the molecular formula C20H17NO3S and a molecular weight of 351.43 g/mol. Its IUPAC name is 2-[2-[(E)-2-(4-methoxyphenyl)ethenyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[(E)-2-(4-methoxyphenyl)ethenyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid
PubChem CID6450669
Molecular FormulaC20H17NO3S
Molecular Weight351.43 g/mol
Exact Mass351.09
IUPAC Name2-[2-[(E)-2-(4-methoxyphenyl)ethenyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid
SMILESCOc1ccc(/C=C/c2nc(-c3ccccc3)c(CC(=O)O)s2)cc1
InChIInChI=1S/C20H17NO3S/c1-24-16-10-7-14(8-11-16)9-12-18-21-20(15-5-3-2-4-6-15)17(25-18)13-19(22)23/h2-12H,13H2,1H3,(H,22,23)/b12-9+
InChIKeyZLYSMYDHRJNNNW-FMIVXFBMSA-N
XLogP4.62
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-bromophenyl)-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-thiazol-5-yl]acetic acid
CID 6450677
2-[4-(4-methoxyphenyl)-2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]acetic acid
CID 46230235
2-[4-(4-chlorophenyl)-2-[(E)-2-(2-fluorophenyl)ethenyl]-1,3-thiazol-5-yl]acetic acid
CID 6450642
2-[2-ethyl-4-(3-methoxyphenyl)-1,3-thiazol-5-yl]acetic acid
CID 82069372
2-[2-(2-methoxyphenyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid
CID 154186079
2-[4-(4-methoxyphenyl)-2-(4-methylanilino)-1,3-thiazol-5-yl]acetic acid
CID 3145343
5-[(E)-2-(5-carboxy-4-phenyl-1,3-thiazol-2-yl)ethenyl]-2-methoxyphenolate
CID 54717115
2-[4-(4-fluorophenyl)-2-[[2-(3-methoxyphenyl)phenyl]methyl]-1,3-thiazol-5-yl]acetic acid
CID 46229852
methyl 2-[2-[2-(4-methoxyphenyl)ethenyl]-4-(4-phenylphenyl)-1H-imidazol-5-yl]acetate
CID 91199446
2-[2-[5-amino-4-(4-methoxyphenyl)pyrazol-1-yl]-4-phenyl-1,3-thiazol-5-yl]acetic acid
CID 1474412
2-[4-(4-chlorophenyl)-2-[(4-methoxyphenyl)-phenylmethyl]-1,3-thiazol-5-yl]acetic acid
CID 11561470
2-[4-(3-fluorophenyl)-2-(4-methoxy-N-(4-methoxyphenyl)anilino)-1,3-thiazol-5-yl]acetic acid
CID 16660291

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-2-(4-methoxyphenyl)ethenyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[2-[(E)-2-(4-methoxyphenyl)ethenyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid (CID 6450669) is 2-[2-[(E)-2-(4-methoxyphenyl)ethenyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-[(E)-2-(4-methoxyphenyl)ethenyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-[(E)-2-(4-methoxyphenyl)ethenyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid is COc1ccc(/C=C/c2nc(-c3ccccc3)c(CC(=O)O)s2)cc1.
What is the InChIKey of 2-[2-[(E)-2-(4-methoxyphenyl)ethenyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid?
The InChIKey is ZLYSMYDHRJNNNW-FMIVXFBMSA-N. The full InChI is InChI=1S/C20H17NO3S/c1-24-16-10-7-14(8-11-16)9-12-18-21-20(15-5-3-2-4-6-15)17(25-18)13-19(22)23/h2-12H,13H2,1H3,(H,22,23)/b12-9+.
What are the key properties of 2-[2-[(E)-2-(4-methoxyphenyl)ethenyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid?
2-[2-[(E)-2-(4-methoxyphenyl)ethenyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid has a molecular weight of 351.43 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-2-(4-methoxyphenyl)ethenyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 6450669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).