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

C8H6F3N3S — CID 140993694

IUPAC2-methyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole
SMILESCc1nc(-c2ncc(C(F)(F)F)[nH]2)cs1
InChIInChI=1S/C8H6F3N3S/c1-4-13-5(3-15-4)7-12-2-6(14-7)8(9,10)11/h2-3H,1H3,(H,12,14)
InChIKeyLJUJZGPQLCFGBE-UHFFFAOYSA-N
MW233.22 g/mol
LogP2.86
Rot. Bonds1

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

2-methyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole (PubChem CID 140993694) has the molecular formula C8H6F3N3S and a molecular weight of 233.22 g/mol. Its IUPAC name is 2-methyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole
PubChem CID140993694
Molecular FormulaC8H6F3N3S
Molecular Weight233.22 g/mol
Exact Mass233.02
IUPAC Name2-methyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole
SMILESCc1nc(-c2ncc(C(F)(F)F)[nH]2)cs1
InChIInChI=1S/C8H6F3N3S/c1-4-13-5(3-15-4)7-12-2-6(14-7)8(9,10)11/h2-3H,1H3,(H,12,14)
InChIKeyLJUJZGPQLCFGBE-UHFFFAOYSA-N
XLogP2.86
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Zaltidine
CID 56051
AC1Mhmyz
CID 3007768
4-ethyl-2-(1H-imidazol-4-yl)-1,3-thiazole
CID 136333896
8-(1,3-Thiazol-4-yl)-3,7-dihydro-6H-purine-6-thione
CID 12418009
Zaltidine Hydrochloride
CID 13676604
2-[4-(5-cyano-1H-imidazol-2-yl)-1,3-thiazol-2-yl]guanidine
CID 44339704
N-(1H-imidazol-2-ylmethyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine
CID 71986332
5-(1,3-thiazol-2-yl)-1H-imidazol-4-amine;hydrochloride
CID 172455369
4-(1H-Imidazol-2-YL)-thiazole
CID 17942300
2-(1H-imidazol-4-yl)-1,3-thiazole
CID 53773131
4-[(1S)-1-[2-(1H-imidazol-5-yl)imidazol-1-yl]ethyl]-2-methyl-1,3-thiazole
CID 95549776
(1H-imidazol-2-ylmethyl)methyl(1,3-thiazol-4-ylmethyl)amine
CID 124204693

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole?
The IUPAC name of 2-methyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole (CID 140993694) is 2-methyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole?
The canonical SMILES for 2-methyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole is Cc1nc(-c2ncc(C(F)(F)F)[nH]2)cs1.
What is the InChIKey of 2-methyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole?
The InChIKey is LJUJZGPQLCFGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N3S/c1-4-13-5(3-15-4)7-12-2-6(14-7)8(9,10)11/h2-3H,1H3,(H,12,14).
What are the key properties of 2-methyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole?
2-methyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole has a molecular weight of 233.22 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole is sourced from PubChem (CID 140993694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).