2-[4-[2-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-5-yl]phenyl]acetic acid

C22H16F3N3O3S — CID 22303366

IUPAC2-[4-[2-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-5-yl]phenyl]acetic acid
SMILESCOc1ccc(-c2cc(C(F)(F)F)nn2-c2ncc(-c3ccc(CC(=O)O)cc3)s2)cc1
InChIInChI=1S/C22H16F3N3O3S/c1-31-16-8-6-14(7-9-16)17-11-19(22(23,24)25)27-28(17)21-26-12-18(32-21)15-4-2-13(3-5-15)10-20(29)30/h2-9,11-12H,10H2,1H3,(H,29,30)
InChIKeyCNEOIIUPWLBKCU-UHFFFAOYSA-N
MW459.45 g/mol
LogP5.32
Rot. Bonds6

About 2-[4-[2-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-5-yl]phenyl]acetic acid

2-[4-[2-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-5-yl]phenyl]acetic acid (PubChem CID 22303366) has the molecular formula C22H16F3N3O3S and a molecular weight of 459.45 g/mol. Its IUPAC name is 2-[4-[2-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-5-yl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-5-yl]phenyl]acetic acid
PubChem CID22303366
Molecular FormulaC22H16F3N3O3S
Molecular Weight459.45 g/mol
Exact Mass459.09
IUPAC Name2-[4-[2-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-5-yl]phenyl]acetic acid
SMILESCOc1ccc(-c2cc(C(F)(F)F)nn2-c2ncc(-c3ccc(CC(=O)O)cc3)s2)cc1
InChIInChI=1S/C22H16F3N3O3S/c1-31-16-8-6-14(7-9-16)17-11-19(22(23,24)25)27-28(17)21-26-12-18(32-21)15-4-2-13(3-5-15)10-20(29)30/h2-9,11-12H,10H2,1H3,(H,29,30)
InChIKeyCNEOIIUPWLBKCU-UHFFFAOYSA-N
XLogP5.32
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.45
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-[2-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-5-yl]phenyl]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-[4-[2-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-5-yl]phenyl]acetic acid?
The IUPAC name of 2-[4-[2-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-5-yl]phenyl]acetic acid (CID 22303366) is 2-[4-[2-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-5-yl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[2-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-5-yl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[2-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-5-yl]phenyl]acetic acid is COc1ccc(-c2cc(C(F)(F)F)nn2-c2ncc(-c3ccc(CC(=O)O)cc3)s2)cc1.
What is the InChIKey of 2-[4-[2-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-5-yl]phenyl]acetic acid?
The InChIKey is CNEOIIUPWLBKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N3O3S/c1-31-16-8-6-14(7-9-16)17-11-19(22(23,24)25)27-28(17)21-26-12-18(32-21)15-4-2-13(3-5-15)10-20(29)30/h2-9,11-12H,10H2,1H3,(H,29,30).
What are the key properties of 2-[4-[2-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-5-yl]phenyl]acetic acid?
2-[4-[2-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-5-yl]phenyl]acetic acid has a molecular weight of 459.45 g/mol, XLogP of 5.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-5-yl]phenyl]acetic acid is sourced from PubChem (CID 22303366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).