4-methyl-2-phenyl-5-[2-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]-1H-imidazol-5-yl]-1,3-thiazole

C20H21F3N4S — CID 67359396

IUPAC4-methyl-2-phenyl-5-[2-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]-1H-imidazol-5-yl]-1,3-thiazole
SMILESCc1nc(-c2ccccc2)sc1-c1cnc(C2CCCN(CC(F)(F)F)C2)[nH]1
InChIInChI=1S/C20H21F3N4S/c1-13-17(28-19(25-13)14-6-3-2-4-7-14)16-10-24-18(26-16)15-8-5-9-27(11-15)12-20(21,22)23/h2-4,6-7,10,15H,5,8-9,11-12H2,1H3,(H,24,26)
InChIKeyZULIJBIOHJMKJZ-UHFFFAOYSA-N
MW406.48 g/mol
LogP5.25
Rot. Bonds4

About 4-methyl-2-phenyl-5-[2-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]-1H-imidazol-5-yl]-1,3-thiazole

4-methyl-2-phenyl-5-[2-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]-1H-imidazol-5-yl]-1,3-thiazole (PubChem CID 67359396) has the molecular formula C20H21F3N4S and a molecular weight of 406.48 g/mol. Its IUPAC name is 4-methyl-2-phenyl-5-[2-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]-1H-imidazol-5-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-phenyl-5-[2-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]-1H-imidazol-5-yl]-1,3-thiazole
PubChem CID67359396
Molecular FormulaC20H21F3N4S
Molecular Weight406.48 g/mol
Exact Mass406.14
IUPAC Name4-methyl-2-phenyl-5-[2-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]-1H-imidazol-5-yl]-1,3-thiazole
SMILESCc1nc(-c2ccccc2)sc1-c1cnc(C2CCCN(CC(F)(F)F)C2)[nH]1
InChIInChI=1S/C20H21F3N4S/c1-13-17(28-19(25-13)14-6-3-2-4-7-14)16-10-24-18(26-16)15-8-5-9-27(11-15)12-20(21,22)23/h2-4,6-7,10,15H,5,8-9,11-12H2,1H3,(H,24,26)
InChIKeyZULIJBIOHJMKJZ-UHFFFAOYSA-N
XLogP5.25
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.48
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-phenyl-5-[2-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]-1H-imidazol-5-yl]-1,3-thiazole?
The IUPAC name of 4-methyl-2-phenyl-5-[2-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]-1H-imidazol-5-yl]-1,3-thiazole (CID 67359396) is 4-methyl-2-phenyl-5-[2-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]-1H-imidazol-5-yl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-phenyl-5-[2-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]-1H-imidazol-5-yl]-1,3-thiazole?
The canonical SMILES for 4-methyl-2-phenyl-5-[2-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]-1H-imidazol-5-yl]-1,3-thiazole is Cc1nc(-c2ccccc2)sc1-c1cnc(C2CCCN(CC(F)(F)F)C2)[nH]1.
What is the InChIKey of 4-methyl-2-phenyl-5-[2-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]-1H-imidazol-5-yl]-1,3-thiazole?
The InChIKey is ZULIJBIOHJMKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4S/c1-13-17(28-19(25-13)14-6-3-2-4-7-14)16-10-24-18(26-16)15-8-5-9-27(11-15)12-20(21,22)23/h2-4,6-7,10,15H,5,8-9,11-12H2,1H3,(H,24,26).
What are the key properties of 4-methyl-2-phenyl-5-[2-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]-1H-imidazol-5-yl]-1,3-thiazole?
4-methyl-2-phenyl-5-[2-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]-1H-imidazol-5-yl]-1,3-thiazole has a molecular weight of 406.48 g/mol, XLogP of 5.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-phenyl-5-[2-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]-1H-imidazol-5-yl]-1,3-thiazole is sourced from PubChem (CID 67359396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).