2-methoxy-6-[1-methyl-5-(trifluoromethoxy)indol-2-yl]imidazo[2,1-b][1,3,4]thiadiazole

C15H11F3N4O2S — CID 134137936

IUPAC2-methoxy-6-[1-methyl-5-(trifluoromethoxy)indol-2-yl]imidazo[2,1-b][1,3,4]thiadiazole
SMILESCOc1nn2cc(-c3cc4cc(OC(F)(F)F)ccc4n3C)nc2s1
InChIInChI=1S/C15H11F3N4O2S/c1-21-11-4-3-9(24-15(16,17)18)5-8(11)6-12(21)10-7-22-13(19-10)25-14(20-22)23-2/h3-7H,1-2H3
InChIKeyWOULNLNINBZUOU-UHFFFAOYSA-N
MW368.34 g/mol
LogP3.86
Rot. Bonds3

About 2-methoxy-6-[1-methyl-5-(trifluoromethoxy)indol-2-yl]imidazo[2,1-b][1,3,4]thiadiazole

2-methoxy-6-[1-methyl-5-(trifluoromethoxy)indol-2-yl]imidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 134137936) has the molecular formula C15H11F3N4O2S and a molecular weight of 368.34 g/mol. Its IUPAC name is 2-methoxy-6-[1-methyl-5-(trifluoromethoxy)indol-2-yl]imidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name2-methoxy-6-[1-methyl-5-(trifluoromethoxy)indol-2-yl]imidazo[2,1-b][1,3,4]thiadiazole
PubChem CID134137936
Molecular FormulaC15H11F3N4O2S
Molecular Weight368.34 g/mol
Exact Mass368.06
IUPAC Name2-methoxy-6-[1-methyl-5-(trifluoromethoxy)indol-2-yl]imidazo[2,1-b][1,3,4]thiadiazole
SMILESCOc1nn2cc(-c3cc4cc(OC(F)(F)F)ccc4n3C)nc2s1
InChIInChI=1S/C15H11F3N4O2S/c1-21-11-4-3-9(24-15(16,17)18)5-8(11)6-12(21)10-7-22-13(19-10)25-14(20-22)23-2/h3-7H,1-2H3
InChIKeyWOULNLNINBZUOU-UHFFFAOYSA-N
XLogP3.86
TPSA53.58 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.34
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[1-methyl-5-(trifluoromethoxy)indol-2-yl]imidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 2-methoxy-6-[1-methyl-5-(trifluoromethoxy)indol-2-yl]imidazo[2,1-b][1,3,4]thiadiazole (CID 134137936) is 2-methoxy-6-[1-methyl-5-(trifluoromethoxy)indol-2-yl]imidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 2-methoxy-6-[1-methyl-5-(trifluoromethoxy)indol-2-yl]imidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 2-methoxy-6-[1-methyl-5-(trifluoromethoxy)indol-2-yl]imidazo[2,1-b][1,3,4]thiadiazole is COc1nn2cc(-c3cc4cc(OC(F)(F)F)ccc4n3C)nc2s1.
What is the InChIKey of 2-methoxy-6-[1-methyl-5-(trifluoromethoxy)indol-2-yl]imidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is WOULNLNINBZUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4O2S/c1-21-11-4-3-9(24-15(16,17)18)5-8(11)6-12(21)10-7-22-13(19-10)25-14(20-22)23-2/h3-7H,1-2H3.
What are the key properties of 2-methoxy-6-[1-methyl-5-(trifluoromethoxy)indol-2-yl]imidazo[2,1-b][1,3,4]thiadiazole?
2-methoxy-6-[1-methyl-5-(trifluoromethoxy)indol-2-yl]imidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 368.34 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[1-methyl-5-(trifluoromethoxy)indol-2-yl]imidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 134137936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).