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

C8H6F3N3S — CID 140993688

IUPAC4-methyl-2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole
SMILESCc1csc(-c2ncc(C(F)(F)F)[nH]2)n1
InChIInChI=1S/C8H6F3N3S/c1-4-3-15-7(13-4)6-12-2-5(14-6)8(9,10)11/h2-3H,1H3,(H,12,14)
InChIKeyMHISXUCGLWQTIP-UHFFFAOYSA-N
MW233.22 g/mol
LogP2.86
Rot. Bonds1

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

4-methyl-2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole (PubChem CID 140993688) has the molecular formula C8H6F3N3S and a molecular weight of 233.22 g/mol. Its IUPAC name is 4-methyl-2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole
PubChem CID140993688
Molecular FormulaC8H6F3N3S
Molecular Weight233.22 g/mol
Exact Mass233.02
IUPAC Name4-methyl-2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole
SMILESCc1csc(-c2ncc(C(F)(F)F)[nH]2)n1
InChIInChI=1S/C8H6F3N3S/c1-4-3-15-7(13-4)6-12-2-5(14-6)8(9,10)11/h2-3H,1H3,(H,12,14)
InChIKeyMHISXUCGLWQTIP-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

2-(1H-imidazol-5-ylmethyl)-4,5-dimethyl-1,3-thiazole
CID 9990190
4-ethyl-2-(1H-imidazol-5-ylmethyl)-1,3-thiazole
CID 10821611
4-ethyl-2-(1H-imidazol-4-yl)-1,3-thiazole
CID 136333896
2-[4-(5-cyano-1H-imidazol-2-yl)-1,3-thiazol-2-yl]guanidine
CID 44339704
N-[(1-methylimidazol-2-yl)methyl]-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine
CID 71868809
N-(1H-imidazol-2-ylmethyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine
CID 71986332
3-Methyl-6-(trifluoromethyl)imidazo[2,1-b]thiazole
CID 72183228
1-(4,5-dimethyl-1H-imidazol-2-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 118785908
(1H-imidazol-2-ylmethyl)methyl(1,3-thiazol-4-ylmethyl)amine
CID 124204693
1-(4-ethyl-1,3-thiazol-2-yl)-N-(1H-imidazol-4-ylmethyl)methanamine
CID 132422951
2-(4-trifluoromethyl-1H-imidazol-2-yl)-thiazole
CID 10798896
1-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-2-[3-(1,3-thiazol-2-yl)propyl]guanidine
CID 13499363

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole?
The IUPAC name of 4-methyl-2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole (CID 140993688) is 4-methyl-2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole?
The canonical SMILES for 4-methyl-2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole is Cc1csc(-c2ncc(C(F)(F)F)[nH]2)n1.
What is the InChIKey of 4-methyl-2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole?
The InChIKey is MHISXUCGLWQTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N3S/c1-4-3-15-7(13-4)6-12-2-5(14-6)8(9,10)11/h2-3H,1H3,(H,12,14).
What are the key properties of 4-methyl-2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole?
4-methyl-2-[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 4-methyl-2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole is sourced from PubChem (CID 140993688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).