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

C22H13F5N2OS — CID 141015358

IUPAC2-(2,6-difluorophenyl)-4-[4-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]phenyl]-1,3-thiazole
SMILESFc1cccc(F)c1-c1nc(-c2ccc(-c3ccc(OCC(F)(F)F)nc3)cc2)cs1
InChIInChI=1S/C22H13F5N2OS/c23-16-2-1-3-17(24)20(16)21-29-18(11-31-21)14-6-4-13(5-7-14)15-8-9-19(28-10-15)30-12-22(25,26)27/h1-11H,12H2
InChIKeyMAOXIDYPQNQAMJ-UHFFFAOYSA-N
MW448.42 g/mol
LogP6.76
Rot. Bonds5

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

2-(2,6-difluorophenyl)-4-[4-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]phenyl]-1,3-thiazole (PubChem CID 141015358) has the molecular formula C22H13F5N2OS and a molecular weight of 448.42 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-4-[4-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]phenyl]-1,3-thiazole.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-4-[4-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]phenyl]-1,3-thiazole
PubChem CID141015358
Molecular FormulaC22H13F5N2OS
Molecular Weight448.42 g/mol
Exact Mass448.07
IUPAC Name2-(2,6-difluorophenyl)-4-[4-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]phenyl]-1,3-thiazole
SMILESFc1cccc(F)c1-c1nc(-c2ccc(-c3ccc(OCC(F)(F)F)nc3)cc2)cs1
InChIInChI=1S/C22H13F5N2OS/c23-16-2-1-3-17(24)20(16)21-29-18(11-31-21)14-6-4-13(5-7-14)15-8-9-19(28-10-15)30-12-22(25,26)27/h1-11H,12H2
InChIKeyMAOXIDYPQNQAMJ-UHFFFAOYSA-N
XLogP6.76
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.42
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2,6-difluorophenyl)-4-[4-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]phenyl]-1,3-thiazole with MolForge

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Related Compounds

4-[4-(3-Methoxyphenyl)-1,3-thiazol-2-yl]-2-propylpyridine
CID 7680155
4-[4-(2-Methoxyphenyl)-1,3-thiazol-2-yl]-2-propylpyridine
CID 8057056
3-(4-Methoxyphenyl)-5-[(2-methyl-4-thiazolyl)ethynyl]pyridine
CID 11673933
2-(2-Methoxyphenyl)-5-[(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridine
CID 16662929
4-(6-Methoxynaphthalen-2-yl)-2-pyridin-3-yl-1,3-thiazole
CID 2347621
2-(2-(Bis(4-fluorophenyl)methyl)-4-(2-methoxypyridin-4-yl)thiazol-5-yl)acetic acid
CID 46229884
4-(6-Ethoxy-3-pyridinyl)-2-pyridin-4-yl-1,3-thiazole
CID 57400012
4-[4-(Cyclopropylmethoxy)phenyl]-2-(2-propyl-4-pyridyl)thiazole
CID 118709519
4-[4-(2-Methoxyethoxy)phenyl]-2-(2-propyl-4-pyridyl)thiazole
CID 118709520
3-[4-(4-Methoxyphenyl)-1,3-thiazol-2-yl]pyridine
CID 727309
4-[4-(4-Methoxyphenyl)-1,3-thiazol-2-yl]-2-propylpyridine
CID 8057213
4-[2-[6-(2-Fluoro-3-methoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole
CID 16662194

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-4-[4-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]phenyl]-1,3-thiazole?
The IUPAC name of 2-(2,6-difluorophenyl)-4-[4-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]phenyl]-1,3-thiazole (CID 141015358) is 2-(2,6-difluorophenyl)-4-[4-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]phenyl]-1,3-thiazole.
What is the SMILES notation for 2-(2,6-difluorophenyl)-4-[4-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]phenyl]-1,3-thiazole?
The canonical SMILES for 2-(2,6-difluorophenyl)-4-[4-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]phenyl]-1,3-thiazole is Fc1cccc(F)c1-c1nc(-c2ccc(-c3ccc(OCC(F)(F)F)nc3)cc2)cs1.
What is the InChIKey of 2-(2,6-difluorophenyl)-4-[4-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]phenyl]-1,3-thiazole?
The InChIKey is MAOXIDYPQNQAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13F5N2OS/c23-16-2-1-3-17(24)20(16)21-29-18(11-31-21)14-6-4-13(5-7-14)15-8-9-19(28-10-15)30-12-22(25,26)27/h1-11H,12H2.
What are the key properties of 2-(2,6-difluorophenyl)-4-[4-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]phenyl]-1,3-thiazole?
2-(2,6-difluorophenyl)-4-[4-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]phenyl]-1,3-thiazole has a molecular weight of 448.42 g/mol, XLogP of 6.76, 5 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-(2,2,2-trifluoroethoxy)-3-pyridinyl]phenyl]-1,3-thiazole is sourced from PubChem (CID 141015358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).