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

C23H18N2O2S — CID 46230289

IUPAC2-[2-anilino-4-(4-phenylphenyl)-1,3-thiazol-5-yl]acetic acid
SMILESO=C(O)Cc1sc(Nc2ccccc2)nc1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H18N2O2S/c26-21(27)15-20-22(25-23(28-20)24-19-9-5-2-6-10-19)18-13-11-17(12-14-18)16-7-3-1-4-8-16/h1-14H,15H2,(H,24,25)(H,26,27)
InChIKeyCVDQCWFGYGVALA-UHFFFAOYSA-N
MW386.48 g/mol
LogP5.85
Rot. Bonds6

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

2-[2-anilino-4-(4-phenylphenyl)-1,3-thiazol-5-yl]acetic acid (PubChem CID 46230289) has the molecular formula C23H18N2O2S and a molecular weight of 386.48 g/mol. Its IUPAC name is 2-[2-anilino-4-(4-phenylphenyl)-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-anilino-4-(4-phenylphenyl)-1,3-thiazol-5-yl]acetic acid
PubChem CID46230289
Molecular FormulaC23H18N2O2S
Molecular Weight386.48 g/mol
Exact Mass386.11
IUPAC Name2-[2-anilino-4-(4-phenylphenyl)-1,3-thiazol-5-yl]acetic acid
SMILESO=C(O)Cc1sc(Nc2ccccc2)nc1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H18N2O2S/c26-21(27)15-20-22(25-23(28-20)24-19-9-5-2-6-10-19)18-13-11-17(12-14-18)16-7-3-1-4-8-16/h1-14H,15H2,(H,24,25)(H,26,27)
InChIKeyCVDQCWFGYGVALA-UHFFFAOYSA-N
XLogP5.85
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.48
LogP ≤ 55.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-anilino-4-(4-phenylphenyl)-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[2-anilino-4-(4-phenylphenyl)-1,3-thiazol-5-yl]acetic acid (CID 46230289) is 2-[2-anilino-4-(4-phenylphenyl)-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-anilino-4-(4-phenylphenyl)-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-anilino-4-(4-phenylphenyl)-1,3-thiazol-5-yl]acetic acid is O=C(O)Cc1sc(Nc2ccccc2)nc1-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-[2-anilino-4-(4-phenylphenyl)-1,3-thiazol-5-yl]acetic acid?
The InChIKey is CVDQCWFGYGVALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O2S/c26-21(27)15-20-22(25-23(28-20)24-19-9-5-2-6-10-19)18-13-11-17(12-14-18)16-7-3-1-4-8-16/h1-14H,15H2,(H,24,25)(H,26,27).
What are the key properties of 2-[2-anilino-4-(4-phenylphenyl)-1,3-thiazol-5-yl]acetic acid?
2-[2-anilino-4-(4-phenylphenyl)-1,3-thiazol-5-yl]acetic acid has a molecular weight of 386.48 g/mol, XLogP of 5.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-anilino-4-(4-phenylphenyl)-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 46230289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).