1,2-dimethyl-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole

C12H13F3N2S — CID 83086723

IUPAC1,2-dimethyl-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole
SMILESCc1sc2nc3c(n2c1C)CC(C(F)(F)F)CC3
InChIInChI=1S/C12H13F3N2S/c1-6-7(2)18-11-16-9-4-3-8(12(13,14)15)5-10(9)17(6)11/h8H,3-5H2,1-2H3
InChIKeyAWUWRURXRHJFDQ-UHFFFAOYSA-N
MW274.31 g/mol
LogP3.68
Rot. Bonds

About 1,2-dimethyl-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole

1,2-dimethyl-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole (PubChem CID 83086723) has the molecular formula C12H13F3N2S and a molecular weight of 274.31 g/mol. Its IUPAC name is 1,2-dimethyl-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole.

Molecular Properties

Compound Name1,2-dimethyl-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole
PubChem CID83086723
Molecular FormulaC12H13F3N2S
Molecular Weight274.31 g/mol
Exact Mass274.08
IUPAC Name1,2-dimethyl-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole
SMILESCc1sc2nc3c(n2c1C)CC(C(F)(F)F)CC3
InChIInChI=1S/C12H13F3N2S/c1-6-7(2)18-11-16-9-4-3-8(12(13,14)15)5-10(9)17(6)11/h8H,3-5H2,1-2H3
InChIKeyAWUWRURXRHJFDQ-UHFFFAOYSA-N
XLogP3.68
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole?
The IUPAC name of 1,2-dimethyl-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole (CID 83086723) is 1,2-dimethyl-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole.
What is the SMILES notation for 1,2-dimethyl-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole?
The canonical SMILES for 1,2-dimethyl-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole is Cc1sc2nc3c(n2c1C)CC(C(F)(F)F)CC3.
What is the InChIKey of 1,2-dimethyl-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole?
The InChIKey is AWUWRURXRHJFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2S/c1-6-7(2)18-11-16-9-4-3-8(12(13,14)15)5-10(9)17(6)11/h8H,3-5H2,1-2H3.
What are the key properties of 1,2-dimethyl-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole?
1,2-dimethyl-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole has a molecular weight of 274.31 g/mol, XLogP of 3.68, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole is sourced from PubChem (CID 83086723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).