2-[2-(2-methoxyanilino)-4-(4-phenylphenyl)-1,3-thiazol-5-yl]acetic acid

C24H20N2O3S — CID 46230336

IUPAC2-[2-(2-methoxyanilino)-4-(4-phenylphenyl)-1,3-thiazol-5-yl]acetic acid
SMILESCOc1ccccc1Nc1nc(-c2ccc(-c3ccccc3)cc2)c(CC(=O)O)s1
InChIInChI=1S/C24H20N2O3S/c1-29-20-10-6-5-9-19(20)25-24-26-23(21(30-24)15-22(27)28)18-13-11-17(12-14-18)16-7-3-2-4-8-16/h2-14H,15H2,1H3,(H,25,26)(H,27,28)
InChIKeyWDIBIILSOQYGOZ-UHFFFAOYSA-N
MW416.50 g/mol
LogP5.86
Rot. Bonds7

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

2-[2-(2-methoxyanilino)-4-(4-phenylphenyl)-1,3-thiazol-5-yl]acetic acid (PubChem CID 46230336) has the molecular formula C24H20N2O3S and a molecular weight of 416.50 g/mol. Its IUPAC name is 2-[2-(2-methoxyanilino)-4-(4-phenylphenyl)-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(2-methoxyanilino)-4-(4-phenylphenyl)-1,3-thiazol-5-yl]acetic acid
PubChem CID46230336
Molecular FormulaC24H20N2O3S
Molecular Weight416.50 g/mol
Exact Mass416.12
IUPAC Name2-[2-(2-methoxyanilino)-4-(4-phenylphenyl)-1,3-thiazol-5-yl]acetic acid
SMILESCOc1ccccc1Nc1nc(-c2ccc(-c3ccccc3)cc2)c(CC(=O)O)s1
InChIInChI=1S/C24H20N2O3S/c1-29-20-10-6-5-9-19(20)25-24-26-23(21(30-24)15-22(27)28)18-13-11-17(12-14-18)16-7-3-2-4-8-16/h2-14H,15H2,1H3,(H,25,26)(H,27,28)
InChIKeyWDIBIILSOQYGOZ-UHFFFAOYSA-N
XLogP5.86
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.50
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyanilino)-4-(4-phenylphenyl)-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[2-(2-methoxyanilino)-4-(4-phenylphenyl)-1,3-thiazol-5-yl]acetic acid (CID 46230336) is 2-[2-(2-methoxyanilino)-4-(4-phenylphenyl)-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-(2-methoxyanilino)-4-(4-phenylphenyl)-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-(2-methoxyanilino)-4-(4-phenylphenyl)-1,3-thiazol-5-yl]acetic acid is COc1ccccc1Nc1nc(-c2ccc(-c3ccccc3)cc2)c(CC(=O)O)s1.
What is the InChIKey of 2-[2-(2-methoxyanilino)-4-(4-phenylphenyl)-1,3-thiazol-5-yl]acetic acid?
The InChIKey is WDIBIILSOQYGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O3S/c1-29-20-10-6-5-9-19(20)25-24-26-23(21(30-24)15-22(27)28)18-13-11-17(12-14-18)16-7-3-2-4-8-16/h2-14H,15H2,1H3,(H,25,26)(H,27,28).
What are the key properties of 2-[2-(2-methoxyanilino)-4-(4-phenylphenyl)-1,3-thiazol-5-yl]acetic acid?
2-[2-(2-methoxyanilino)-4-(4-phenylphenyl)-1,3-thiazol-5-yl]acetic acid has a molecular weight of 416.50 g/mol, XLogP of 5.86, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyanilino)-4-(4-phenylphenyl)-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 46230336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).