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

C24H18F2N2O3S — CID 46229884

IUPAC2-[2-[bis(4-fluorophenyl)methyl]-4-(2-methoxy-4-pyridinyl)-1,3-thiazol-5-yl]acetic acid
SMILESCOc1cc(-c2nc(C(c3ccc(F)cc3)c3ccc(F)cc3)sc2CC(=O)O)ccn1
InChIInChI=1S/C24H18F2N2O3S/c1-31-20-12-16(10-11-27-20)23-19(13-21(29)30)32-24(28-23)22(14-2-6-17(25)7-3-14)15-4-8-18(26)9-5-15/h2-12,22H,13H2,1H3,(H,29,30)
InChIKeyCHWIEHIITYRMBU-UHFFFAOYSA-N
MW452.48 g/mol
LogP5.30
Rot. Bonds7

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

2-[2-[bis(4-fluorophenyl)methyl]-4-(2-methoxy-4-pyridinyl)-1,3-thiazol-5-yl]acetic acid (PubChem CID 46229884) has the molecular formula C24H18F2N2O3S and a molecular weight of 452.48 g/mol. Its IUPAC name is 2-[2-[bis(4-fluorophenyl)methyl]-4-(2-methoxy-4-pyridinyl)-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[bis(4-fluorophenyl)methyl]-4-(2-methoxy-4-pyridinyl)-1,3-thiazol-5-yl]acetic acid
PubChem CID46229884
Molecular FormulaC24H18F2N2O3S
Molecular Weight452.48 g/mol
Exact Mass452.10
IUPAC Name2-[2-[bis(4-fluorophenyl)methyl]-4-(2-methoxy-4-pyridinyl)-1,3-thiazol-5-yl]acetic acid
SMILESCOc1cc(-c2nc(C(c3ccc(F)cc3)c3ccc(F)cc3)sc2CC(=O)O)ccn1
InChIInChI=1S/C24H18F2N2O3S/c1-31-20-12-16(10-11-27-20)23-19(13-21(29)30)32-24(28-23)22(14-2-6-17(25)7-3-14)15-4-8-18(26)9-5-15/h2-12,22H,13H2,1H3,(H,29,30)
InChIKeyCHWIEHIITYRMBU-UHFFFAOYSA-N
XLogP5.30
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.48
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-[bis(4-fluorophenyl)methyl]-4-(2-methoxy-4-pyridinyl)-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-(2-methoxy-4-pyridinyl)-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[2-[bis(4-fluorophenyl)methyl]-4-(2-methoxy-4-pyridinyl)-1,3-thiazol-5-yl]acetic acid (CID 46229884) is 2-[2-[bis(4-fluorophenyl)methyl]-4-(2-methoxy-4-pyridinyl)-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-[bis(4-fluorophenyl)methyl]-4-(2-methoxy-4-pyridinyl)-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-[bis(4-fluorophenyl)methyl]-4-(2-methoxy-4-pyridinyl)-1,3-thiazol-5-yl]acetic acid is COc1cc(-c2nc(C(c3ccc(F)cc3)c3ccc(F)cc3)sc2CC(=O)O)ccn1.
What is the InChIKey of 2-[2-[bis(4-fluorophenyl)methyl]-4-(2-methoxy-4-pyridinyl)-1,3-thiazol-5-yl]acetic acid?
The InChIKey is CHWIEHIITYRMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F2N2O3S/c1-31-20-12-16(10-11-27-20)23-19(13-21(29)30)32-24(28-23)22(14-2-6-17(25)7-3-14)15-4-8-18(26)9-5-15/h2-12,22H,13H2,1H3,(H,29,30).
What are the key properties of 2-[2-[bis(4-fluorophenyl)methyl]-4-(2-methoxy-4-pyridinyl)-1,3-thiazol-5-yl]acetic acid?
2-[2-[bis(4-fluorophenyl)methyl]-4-(2-methoxy-4-pyridinyl)-1,3-thiazol-5-yl]acetic acid has a molecular weight of 452.48 g/mol, XLogP of 5.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[bis(4-fluorophenyl)methyl]-4-(2-methoxy-4-pyridinyl)-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 46229884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).