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

C11H11F3N2S — CID 113303103

IUPAC1-methyl-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole
SMILESCc1csc2nc3c(n12)CC(C(F)(F)F)CC3
InChIInChI=1S/C11H11F3N2S/c1-6-5-17-10-15-8-3-2-7(11(12,13)14)4-9(8)16(6)10/h5,7H,2-4H2,1H3
InChIKeyKVELDBQPNWFQDM-UHFFFAOYSA-N
MW260.28 g/mol
LogP3.37
Rot. Bonds

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

1-methyl-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole (PubChem CID 113303103) has the molecular formula C11H11F3N2S and a molecular weight of 260.28 g/mol. Its IUPAC name is 1-methyl-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole.

Molecular Properties

Compound Name1-methyl-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole
PubChem CID113303103
Molecular FormulaC11H11F3N2S
Molecular Weight260.28 g/mol
Exact Mass260.06
IUPAC Name1-methyl-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole
SMILESCc1csc2nc3c(n12)CC(C(F)(F)F)CC3
InChIInChI=1S/C11H11F3N2S/c1-6-5-17-10-15-8-3-2-7(11(12,13)14)4-9(8)16(6)10/h5,7H,2-4H2,1H3
InChIKeyKVELDBQPNWFQDM-UHFFFAOYSA-N
XLogP3.37
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole?
The IUPAC name of 1-methyl-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole (CID 113303103) is 1-methyl-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole.
What is the SMILES notation for 1-methyl-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole?
The canonical SMILES for 1-methyl-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole is Cc1csc2nc3c(n12)CC(C(F)(F)F)CC3.
What is the InChIKey of 1-methyl-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole?
The InChIKey is KVELDBQPNWFQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2S/c1-6-5-17-10-15-8-3-2-7(11(12,13)14)4-9(8)16(6)10/h5,7H,2-4H2,1H3.
What are the key properties of 1-methyl-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole?
1-methyl-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole has a molecular weight of 260.28 g/mol, XLogP of 3.37, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole is sourced from PubChem (CID 113303103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).