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

C23H17FN2O2S — CID 24937520

IUPAC2-[4-[4-[2-(3-fluoroanilino)-1,3-thiazol-4-yl]phenyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(-c2ccc(-c3csc(Nc4cccc(F)c4)n3)cc2)cc1
InChIInChI=1S/C23H17FN2O2S/c24-19-2-1-3-20(13-19)25-23-26-21(14-29-23)18-10-8-17(9-11-18)16-6-4-15(5-7-16)12-22(27)28/h1-11,13-14H,12H2,(H,25,26)(H,27,28)
InChIKeyCLTAWTITVRZHKX-UHFFFAOYSA-N
MW404.47 g/mol
LogP5.99
Rot. Bonds6

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

2-[4-[4-[2-(3-fluoroanilino)-1,3-thiazol-4-yl]phenyl]phenyl]acetic acid (PubChem CID 24937520) has the molecular formula C23H17FN2O2S and a molecular weight of 404.47 g/mol. Its IUPAC name is 2-[4-[4-[2-(3-fluoroanilino)-1,3-thiazol-4-yl]phenyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[4-[2-(3-fluoroanilino)-1,3-thiazol-4-yl]phenyl]phenyl]acetic acid
PubChem CID24937520
Molecular FormulaC23H17FN2O2S
Molecular Weight404.47 g/mol
Exact Mass404.10
IUPAC Name2-[4-[4-[2-(3-fluoroanilino)-1,3-thiazol-4-yl]phenyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(-c2ccc(-c3csc(Nc4cccc(F)c4)n3)cc2)cc1
InChIInChI=1S/C23H17FN2O2S/c24-19-2-1-3-20(13-19)25-23-26-21(14-29-23)18-10-8-17(9-11-18)16-6-4-15(5-7-16)12-22(27)28/h1-11,13-14H,12H2,(H,25,26)(H,27,28)
InChIKeyCLTAWTITVRZHKX-UHFFFAOYSA-N
XLogP5.99
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.47
LogP ≤ 55.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[2-(3-fluoroanilino)-1,3-thiazol-4-yl]phenyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[4-[2-(3-fluoroanilino)-1,3-thiazol-4-yl]phenyl]phenyl]acetic acid (CID 24937520) is 2-[4-[4-[2-(3-fluoroanilino)-1,3-thiazol-4-yl]phenyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[4-[2-(3-fluoroanilino)-1,3-thiazol-4-yl]phenyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[4-[2-(3-fluoroanilino)-1,3-thiazol-4-yl]phenyl]phenyl]acetic acid is O=C(O)Cc1ccc(-c2ccc(-c3csc(Nc4cccc(F)c4)n3)cc2)cc1.
What is the InChIKey of 2-[4-[4-[2-(3-fluoroanilino)-1,3-thiazol-4-yl]phenyl]phenyl]acetic acid?
The InChIKey is CLTAWTITVRZHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN2O2S/c24-19-2-1-3-20(13-19)25-23-26-21(14-29-23)18-10-8-17(9-11-18)16-6-4-15(5-7-16)12-22(27)28/h1-11,13-14H,12H2,(H,25,26)(H,27,28).
What are the key properties of 2-[4-[4-[2-(3-fluoroanilino)-1,3-thiazol-4-yl]phenyl]phenyl]acetic acid?
2-[4-[4-[2-(3-fluoroanilino)-1,3-thiazol-4-yl]phenyl]phenyl]acetic acid has a molecular weight of 404.47 g/mol, XLogP of 5.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[2-(3-fluoroanilino)-1,3-thiazol-4-yl]phenyl]phenyl]acetic acid is sourced from PubChem (CID 24937520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).