5-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)-3-(trifluoromethyl)pyridin-2-amine

C11H8F3N5S — CID 141277293

IUPAC5-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)-3-(trifluoromethyl)pyridin-2-amine
SMILESCc1nc2scnn2c1-c1cnc(N)c(C(F)(F)F)c1
InChIInChI=1S/C11H8F3N5S/c1-5-8(19-10(18-5)20-4-17-19)6-2-7(11(12,13)14)9(15)16-3-6/h2-4H,1H3,(H2,15,16)
InChIKeyOJXHNFGKTKCRJM-UHFFFAOYSA-N
MW299.28 g/mol
LogP2.76
Rot. Bonds1

About 5-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)-3-(trifluoromethyl)pyridin-2-amine

5-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 141277293) has the molecular formula C11H8F3N5S and a molecular weight of 299.28 g/mol. Its IUPAC name is 5-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)-3-(trifluoromethyl)pyridin-2-amine
PubChem CID141277293
Molecular FormulaC11H8F3N5S
Molecular Weight299.28 g/mol
Exact Mass299.05
IUPAC Name5-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)-3-(trifluoromethyl)pyridin-2-amine
SMILESCc1nc2scnn2c1-c1cnc(N)c(C(F)(F)F)c1
InChIInChI=1S/C11H8F3N5S/c1-5-8(19-10(18-5)20-4-17-19)6-2-7(11(12,13)14)9(15)16-3-6/h2-4H,1H3,(H2,15,16)
InChIKeyOJXHNFGKTKCRJM-UHFFFAOYSA-N
XLogP2.76
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.28
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)-3-(trifluoromethyl)pyridin-2-amine with MolForge

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Related Compounds

4-(2-Methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)aniline
CID 576560
6-Phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 641875
1-[5-(2,4-Difluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-4-methylpiperidin-4-amine
CID 162371039
2-Methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole
CID 3000039
2-Methoxy-6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazole
CID 132051219
2-Methoxy-6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazole
CID 132051221
6-[4-Fluoro-3-(trifluoromethyl)phenyl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
CID 132051298
6-(2,4-Difluorophenyl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
CID 132051301
6-(3-Fluorophenyl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
CID 132051309
6-(2-Fluorophenyl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
CID 132051315
6-[3,5-Bis(trifluoromethyl)phenyl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
CID 132051319
6-(4-Fluorophenyl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
CID 132051372

Frequently Asked Questions

What is the IUPAC name of 5-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)-3-(trifluoromethyl)pyridin-2-amine (CID 141277293) is 5-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)-3-(trifluoromethyl)pyridin-2-amine is Cc1nc2scnn2c1-c1cnc(N)c(C(F)(F)F)c1.
What is the InChIKey of 5-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is OJXHNFGKTKCRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N5S/c1-5-8(19-10(18-5)20-4-17-19)6-2-7(11(12,13)14)9(15)16-3-6/h2-4H,1H3,(H2,15,16).
What are the key properties of 5-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)-3-(trifluoromethyl)pyridin-2-amine?
5-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 299.28 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 141277293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).