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

C24H16F3NO2S — CID 11568356

IUPAC2-[2-[bis(4-fluorophenyl)methyl]-4-(4-fluorophenyl)-1,3-thiazol-5-yl]acetic acid
SMILESO=C(O)Cc1sc(C(c2ccc(F)cc2)c2ccc(F)cc2)nc1-c1ccc(F)cc1
InChIInChI=1S/C24H16F3NO2S/c25-17-7-1-14(2-8-17)22(15-3-9-18(26)10-4-15)24-28-23(20(31-24)13-21(29)30)16-5-11-19(27)12-6-16/h1-12,22H,13H2,(H,29,30)
InChIKeyQNEMKHXNYQDLAU-UHFFFAOYSA-N
MW439.46 g/mol
LogP6.03
Rot. Bonds6

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

2-[2-[bis(4-fluorophenyl)methyl]-4-(4-fluorophenyl)-1,3-thiazol-5-yl]acetic acid (PubChem CID 11568356) has the molecular formula C24H16F3NO2S and a molecular weight of 439.46 g/mol. Its IUPAC name is 2-[2-[bis(4-fluorophenyl)methyl]-4-(4-fluorophenyl)-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[bis(4-fluorophenyl)methyl]-4-(4-fluorophenyl)-1,3-thiazol-5-yl]acetic acid
PubChem CID11568356
Molecular FormulaC24H16F3NO2S
Molecular Weight439.46 g/mol
Exact Mass439.09
IUPAC Name2-[2-[bis(4-fluorophenyl)methyl]-4-(4-fluorophenyl)-1,3-thiazol-5-yl]acetic acid
SMILESO=C(O)Cc1sc(C(c2ccc(F)cc2)c2ccc(F)cc2)nc1-c1ccc(F)cc1
InChIInChI=1S/C24H16F3NO2S/c25-17-7-1-14(2-8-17)22(15-3-9-18(26)10-4-15)24-28-23(20(31-24)13-21(29)30)16-5-11-19(27)12-6-16/h1-12,22H,13H2,(H,29,30)
InChIKeyQNEMKHXNYQDLAU-UHFFFAOYSA-N
XLogP6.03
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.46
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-[bis(4-fluorophenyl)methyl]-4-(4-fluorophenyl)-1,3-thiazol-5-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[bis(4-fluorophenyl)methyl]-4-(4-fluorophenyl)-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[2-[bis(4-fluorophenyl)methyl]-4-(4-fluorophenyl)-1,3-thiazol-5-yl]acetic acid (CID 11568356) is 2-[2-[bis(4-fluorophenyl)methyl]-4-(4-fluorophenyl)-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-[bis(4-fluorophenyl)methyl]-4-(4-fluorophenyl)-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-[bis(4-fluorophenyl)methyl]-4-(4-fluorophenyl)-1,3-thiazol-5-yl]acetic acid is O=C(O)Cc1sc(C(c2ccc(F)cc2)c2ccc(F)cc2)nc1-c1ccc(F)cc1.
What is the InChIKey of 2-[2-[bis(4-fluorophenyl)methyl]-4-(4-fluorophenyl)-1,3-thiazol-5-yl]acetic acid?
The InChIKey is QNEMKHXNYQDLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F3NO2S/c25-17-7-1-14(2-8-17)22(15-3-9-18(26)10-4-15)24-28-23(20(31-24)13-21(29)30)16-5-11-19(27)12-6-16/h1-12,22H,13H2,(H,29,30).
What are the key properties of 2-[2-[bis(4-fluorophenyl)methyl]-4-(4-fluorophenyl)-1,3-thiazol-5-yl]acetic acid?
2-[2-[bis(4-fluorophenyl)methyl]-4-(4-fluorophenyl)-1,3-thiazol-5-yl]acetic acid has a molecular weight of 439.46 g/mol, XLogP of 6.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[bis(4-fluorophenyl)methyl]-4-(4-fluorophenyl)-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 11568356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).