N-(2-methylpropyl)-5-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine

C15H15F3N4OS — CID 58285852

IUPACN-(2-methylpropyl)-5-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCC(C)CNc1nn2c(-c3cccc(OC(F)(F)F)c3)cnc2s1
InChIInChI=1S/C15H15F3N4OS/c1-9(2)7-19-13-21-22-12(8-20-14(22)24-13)10-4-3-5-11(6-10)23-15(16,17)18/h3-6,8-9H,7H2,1-2H3,(H,19,21)
InChIKeyFMMBFVSBNJEBPN-UHFFFAOYSA-N
MW356.37 g/mol
LogP4.42
Rot. Bonds5

About N-(2-methylpropyl)-5-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine

N-(2-methylpropyl)-5-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 58285852) has the molecular formula C15H15F3N4OS and a molecular weight of 356.37 g/mol. Its IUPAC name is N-(2-methylpropyl)-5-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-5-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID58285852
Molecular FormulaC15H15F3N4OS
Molecular Weight356.37 g/mol
Exact Mass356.09
IUPAC NameN-(2-methylpropyl)-5-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCC(C)CNc1nn2c(-c3cccc(OC(F)(F)F)c3)cnc2s1
InChIInChI=1S/C15H15F3N4OS/c1-9(2)7-19-13-21-22-12(8-20-14(22)24-13)10-4-3-5-11(6-10)23-15(16,17)18/h3-6,8-9H,7H2,1-2H3,(H,19,21)
InChIKeyFMMBFVSBNJEBPN-UHFFFAOYSA-N
XLogP4.42
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.37
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-5-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of N-(2-methylpropyl)-5-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 58285852) is N-(2-methylpropyl)-5-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for N-(2-methylpropyl)-5-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for N-(2-methylpropyl)-5-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine is CC(C)CNc1nn2c(-c3cccc(OC(F)(F)F)c3)cnc2s1.
What is the InChIKey of N-(2-methylpropyl)-5-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is FMMBFVSBNJEBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4OS/c1-9(2)7-19-13-21-22-12(8-20-14(22)24-13)10-4-3-5-11(6-10)23-15(16,17)18/h3-6,8-9H,7H2,1-2H3,(H,19,21).
What are the key properties of N-(2-methylpropyl)-5-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
N-(2-methylpropyl)-5-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 356.37 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-5-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 58285852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).