2-(2,6-difluorophenyl)-4-[4-[6-(1,1,2-trifluoroethoxy)-3-pyridinyl]phenyl]-4,5-dihydro-1,3-thiazole

C22H15F5N2OS — CID 18755930

IUPAC2-(2,6-difluorophenyl)-4-[4-[6-(1,1,2-trifluoroethoxy)-3-pyridinyl]phenyl]-4,5-dihydro-1,3-thiazole
SMILESFCC(F)(F)Oc1ccc(-c2ccc(C3CSC(c4c(F)cccc4F)=N3)cc2)cn1
InChIInChI=1S/C22H15F5N2OS/c23-12-22(26,27)30-19-9-8-15(10-28-19)13-4-6-14(7-5-13)18-11-31-21(29-18)20-16(24)2-1-3-17(20)25/h1-10,18H,11-12H2
InChIKeyBKZSZHKKEBOPIY-UHFFFAOYSA-N
MW450.43 g/mol
LogP6.20
Rot. Bonds6

About 2-(2,6-difluorophenyl)-4-[4-[6-(1,1,2-trifluoroethoxy)-3-pyridinyl]phenyl]-4,5-dihydro-1,3-thiazole

2-(2,6-difluorophenyl)-4-[4-[6-(1,1,2-trifluoroethoxy)-3-pyridinyl]phenyl]-4,5-dihydro-1,3-thiazole (PubChem CID 18755930) has the molecular formula C22H15F5N2OS and a molecular weight of 450.43 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-4-[4-[6-(1,1,2-trifluoroethoxy)-3-pyridinyl]phenyl]-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-4-[4-[6-(1,1,2-trifluoroethoxy)-3-pyridinyl]phenyl]-4,5-dihydro-1,3-thiazole
PubChem CID18755930
Molecular FormulaC22H15F5N2OS
Molecular Weight450.43 g/mol
Exact Mass450.08
IUPAC Name2-(2,6-difluorophenyl)-4-[4-[6-(1,1,2-trifluoroethoxy)-3-pyridinyl]phenyl]-4,5-dihydro-1,3-thiazole
SMILESFCC(F)(F)Oc1ccc(-c2ccc(C3CSC(c4c(F)cccc4F)=N3)cc2)cn1
InChIInChI=1S/C22H15F5N2OS/c23-12-22(26,27)30-19-9-8-15(10-28-19)13-4-6-14(7-5-13)18-11-31-21(29-18)20-16(24)2-1-3-17(20)25/h1-10,18H,11-12H2
InChIKeyBKZSZHKKEBOPIY-UHFFFAOYSA-N
XLogP6.20
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.43
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2,6-difluorophenyl)-4-[4-[6-(1,1,2-trifluoroethoxy)-3-pyridinyl]phenyl]-4,5-dihydro-1,3-thiazole 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-(2,6-difluorophenyl)-4-[4-[6-(1,1,2-trifluoroethoxy)-3-pyridinyl]phenyl]-4,5-dihydro-1,3-thiazole?
The IUPAC name of 2-(2,6-difluorophenyl)-4-[4-[6-(1,1,2-trifluoroethoxy)-3-pyridinyl]phenyl]-4,5-dihydro-1,3-thiazole (CID 18755930) is 2-(2,6-difluorophenyl)-4-[4-[6-(1,1,2-trifluoroethoxy)-3-pyridinyl]phenyl]-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2-(2,6-difluorophenyl)-4-[4-[6-(1,1,2-trifluoroethoxy)-3-pyridinyl]phenyl]-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 2-(2,6-difluorophenyl)-4-[4-[6-(1,1,2-trifluoroethoxy)-3-pyridinyl]phenyl]-4,5-dihydro-1,3-thiazole is FCC(F)(F)Oc1ccc(-c2ccc(C3CSC(c4c(F)cccc4F)=N3)cc2)cn1.
What is the InChIKey of 2-(2,6-difluorophenyl)-4-[4-[6-(1,1,2-trifluoroethoxy)-3-pyridinyl]phenyl]-4,5-dihydro-1,3-thiazole?
The InChIKey is BKZSZHKKEBOPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F5N2OS/c23-12-22(26,27)30-19-9-8-15(10-28-19)13-4-6-14(7-5-13)18-11-31-21(29-18)20-16(24)2-1-3-17(20)25/h1-10,18H,11-12H2.
What are the key properties of 2-(2,6-difluorophenyl)-4-[4-[6-(1,1,2-trifluoroethoxy)-3-pyridinyl]phenyl]-4,5-dihydro-1,3-thiazole?
2-(2,6-difluorophenyl)-4-[4-[6-(1,1,2-trifluoroethoxy)-3-pyridinyl]phenyl]-4,5-dihydro-1,3-thiazole has a molecular weight of 450.43 g/mol, XLogP of 6.20, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-4-[4-[6-(1,1,2-trifluoroethoxy)-3-pyridinyl]phenyl]-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 18755930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).