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

C15H12F3N3S — CID 14742532

IUPAC2-[(5-methyl-1H-imidazol-4-yl)methyl]-4-[2-(trifluoromethyl)phenyl]-1,3-thiazole
SMILESCc1[nH]cnc1Cc1nc(-c2ccccc2C(F)(F)F)cs1
InChIInChI=1S/C15H12F3N3S/c1-9-12(20-8-19-9)6-14-21-13(7-22-14)10-4-2-3-5-11(10)15(16,17)18/h2-5,7-8H,6H2,1H3,(H,19,20)
InChIKeyNBUWPYHSIUJGGI-UHFFFAOYSA-N
MW323.34 g/mol
LogP4.45
Rot. Bonds3

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

2-[(5-methyl-1H-imidazol-4-yl)methyl]-4-[2-(trifluoromethyl)phenyl]-1,3-thiazole (PubChem CID 14742532) has the molecular formula C15H12F3N3S and a molecular weight of 323.34 g/mol. Its IUPAC name is 2-[(5-methyl-1H-imidazol-4-yl)methyl]-4-[2-(trifluoromethyl)phenyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(5-methyl-1H-imidazol-4-yl)methyl]-4-[2-(trifluoromethyl)phenyl]-1,3-thiazole
PubChem CID14742532
Molecular FormulaC15H12F3N3S
Molecular Weight323.34 g/mol
Exact Mass323.07
IUPAC Name2-[(5-methyl-1H-imidazol-4-yl)methyl]-4-[2-(trifluoromethyl)phenyl]-1,3-thiazole
SMILESCc1[nH]cnc1Cc1nc(-c2ccccc2C(F)(F)F)cs1
InChIInChI=1S/C15H12F3N3S/c1-9-12(20-8-19-9)6-14-21-13(7-22-14)10-4-2-3-5-11(10)15(16,17)18/h2-5,7-8H,6H2,1H3,(H,19,20)
InChIKeyNBUWPYHSIUJGGI-UHFFFAOYSA-N
XLogP4.45
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1H-imidazol-4-yl)methyl]-4-[2-(trifluoromethyl)phenyl]-1,3-thiazole?
The IUPAC name of 2-[(5-methyl-1H-imidazol-4-yl)methyl]-4-[2-(trifluoromethyl)phenyl]-1,3-thiazole (CID 14742532) is 2-[(5-methyl-1H-imidazol-4-yl)methyl]-4-[2-(trifluoromethyl)phenyl]-1,3-thiazole.
What is the SMILES notation for 2-[(5-methyl-1H-imidazol-4-yl)methyl]-4-[2-(trifluoromethyl)phenyl]-1,3-thiazole?
The canonical SMILES for 2-[(5-methyl-1H-imidazol-4-yl)methyl]-4-[2-(trifluoromethyl)phenyl]-1,3-thiazole is Cc1[nH]cnc1Cc1nc(-c2ccccc2C(F)(F)F)cs1.
What is the InChIKey of 2-[(5-methyl-1H-imidazol-4-yl)methyl]-4-[2-(trifluoromethyl)phenyl]-1,3-thiazole?
The InChIKey is NBUWPYHSIUJGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3S/c1-9-12(20-8-19-9)6-14-21-13(7-22-14)10-4-2-3-5-11(10)15(16,17)18/h2-5,7-8H,6H2,1H3,(H,19,20).
What are the key properties of 2-[(5-methyl-1H-imidazol-4-yl)methyl]-4-[2-(trifluoromethyl)phenyl]-1,3-thiazole?
2-[(5-methyl-1H-imidazol-4-yl)methyl]-4-[2-(trifluoromethyl)phenyl]-1,3-thiazole has a molecular weight of 323.34 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1H-imidazol-4-yl)methyl]-4-[2-(trifluoromethyl)phenyl]-1,3-thiazole is sourced from PubChem (CID 14742532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).