2-methyl-6-[3-methyl-5-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazole

C13H10F3N3S — CID 157083559

IUPAC2-methyl-6-[3-methyl-5-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazole
SMILESCc1cc(-c2cn3nc(C)sc3n2)cc(C(F)(F)F)c1
InChIInChI=1S/C13H10F3N3S/c1-7-3-9(5-10(4-7)13(14,15)16)11-6-19-12(17-11)20-8(2)18-19/h3-6H,1-2H3
InChIKeyQSUCLJZQKLJYOC-UHFFFAOYSA-N
MW297.31 g/mol
LogP4.09
Rot. Bonds1

About 2-methyl-6-[3-methyl-5-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazole

2-methyl-6-[3-methyl-5-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 157083559) has the molecular formula C13H10F3N3S and a molecular weight of 297.31 g/mol. Its IUPAC name is 2-methyl-6-[3-methyl-5-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name2-methyl-6-[3-methyl-5-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazole
PubChem CID157083559
Molecular FormulaC13H10F3N3S
Molecular Weight297.31 g/mol
Exact Mass297.05
IUPAC Name2-methyl-6-[3-methyl-5-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazole
SMILESCc1cc(-c2cn3nc(C)sc3n2)cc(C(F)(F)F)c1
InChIInChI=1S/C13H10F3N3S/c1-7-3-9(5-10(4-7)13(14,15)16)11-6-19-12(17-11)20-8(2)18-19/h3-6H,1-2H3
InChIKeyQSUCLJZQKLJYOC-UHFFFAOYSA-N
XLogP4.09
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole
CID 107646686
2-methyl-6-[2-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazole
CID 107646639
6-(3-bromo-4-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole
CID 107646691
6-chloro-2-methylimidazo[2,1-b][1,3,4]thiadiazole
CID 570967
6-(5-bromofuran-2-yl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole
CID 107646529
1,3-dimethyl-5-(trifluoromethyl)benzene;ethane
CID 143497301
N-(2-pyridin-4-ylethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 67221158
2-methyl-6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole
CID 164581246
4-fluoro-2-[3-methyl-5-(trifluoromethyl)phenyl]pyridine
CID 130334912
6-(5-chloro-6-methyl-1-benzofuran-2-yl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole
CID 118068623
(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methanamine;hydrochloride
CID 82020552
2-methyl-6-(6-methyl-4-phenylmethoxy-1-benzofuran-2-yl)imidazo[2,1-b][1,3,4]thiadiazole
CID 126550040

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[3-methyl-5-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 2-methyl-6-[3-methyl-5-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazole (CID 157083559) is 2-methyl-6-[3-methyl-5-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 2-methyl-6-[3-methyl-5-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 2-methyl-6-[3-methyl-5-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazole is Cc1cc(-c2cn3nc(C)sc3n2)cc(C(F)(F)F)c1.
What is the InChIKey of 2-methyl-6-[3-methyl-5-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is QSUCLJZQKLJYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3S/c1-7-3-9(5-10(4-7)13(14,15)16)11-6-19-12(17-11)20-8(2)18-19/h3-6H,1-2H3.
What are the key properties of 2-methyl-6-[3-methyl-5-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazole?
2-methyl-6-[3-methyl-5-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 297.31 g/mol, XLogP of 4.09, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[3-methyl-5-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 157083559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).