2-[4-(3-fluorophenyl)-2-(N-phenylanilino)-1,3-thiazol-5-yl]acetic acid

C23H17FN2O2S — CID 16660289

IUPAC2-[4-(3-fluorophenyl)-2-(N-phenylanilino)-1,3-thiazol-5-yl]acetic acid
SMILESO=C(O)Cc1sc(N(c2ccccc2)c2ccccc2)nc1-c1cccc(F)c1
InChIInChI=1S/C23H17FN2O2S/c24-17-9-7-8-16(14-17)22-20(15-21(27)28)29-23(25-22)26(18-10-3-1-4-11-18)19-12-5-2-6-13-19/h1-14H,15H2,(H,27,28)
InChIKeyWRTWKGBENCFREY-UHFFFAOYSA-N
MW404.47 g/mol
LogP6.05
Rot. Bonds6

About 2-[4-(3-fluorophenyl)-2-(N-phenylanilino)-1,3-thiazol-5-yl]acetic acid

2-[4-(3-fluorophenyl)-2-(N-phenylanilino)-1,3-thiazol-5-yl]acetic acid (PubChem CID 16660289) has the molecular formula C23H17FN2O2S and a molecular weight of 404.47 g/mol. Its IUPAC name is 2-[4-(3-fluorophenyl)-2-(N-phenylanilino)-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(3-fluorophenyl)-2-(N-phenylanilino)-1,3-thiazol-5-yl]acetic acid
PubChem CID16660289
Molecular FormulaC23H17FN2O2S
Molecular Weight404.47 g/mol
Exact Mass404.10
IUPAC Name2-[4-(3-fluorophenyl)-2-(N-phenylanilino)-1,3-thiazol-5-yl]acetic acid
SMILESO=C(O)Cc1sc(N(c2ccccc2)c2ccccc2)nc1-c1cccc(F)c1
InChIInChI=1S/C23H17FN2O2S/c24-17-9-7-8-16(14-17)22-20(15-21(27)28)29-23(25-22)26(18-10-3-1-4-11-18)19-12-5-2-6-13-19/h1-14H,15H2,(H,27,28)
InChIKeyWRTWKGBENCFREY-UHFFFAOYSA-N
XLogP6.05
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.47
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-fluorophenyl)-2-(N-phenylanilino)-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[4-(3-fluorophenyl)-2-(N-phenylanilino)-1,3-thiazol-5-yl]acetic acid (CID 16660289) is 2-[4-(3-fluorophenyl)-2-(N-phenylanilino)-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[4-(3-fluorophenyl)-2-(N-phenylanilino)-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[4-(3-fluorophenyl)-2-(N-phenylanilino)-1,3-thiazol-5-yl]acetic acid is O=C(O)Cc1sc(N(c2ccccc2)c2ccccc2)nc1-c1cccc(F)c1.
What is the InChIKey of 2-[4-(3-fluorophenyl)-2-(N-phenylanilino)-1,3-thiazol-5-yl]acetic acid?
The InChIKey is WRTWKGBENCFREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN2O2S/c24-17-9-7-8-16(14-17)22-20(15-21(27)28)29-23(25-22)26(18-10-3-1-4-11-18)19-12-5-2-6-13-19/h1-14H,15H2,(H,27,28).
What are the key properties of 2-[4-(3-fluorophenyl)-2-(N-phenylanilino)-1,3-thiazol-5-yl]acetic acid?
2-[4-(3-fluorophenyl)-2-(N-phenylanilino)-1,3-thiazol-5-yl]acetic acid has a molecular weight of 404.47 g/mol, XLogP of 6.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-fluorophenyl)-2-(N-phenylanilino)-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 16660289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).