tert-butyl-methyl-oxo-[7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]imino-λ6-sulfane

C15H16F3N5O2S — CID 164518360

IUPACtert-butyl-methyl-oxo-[7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]imino-λ6-sulfane
SMILESCC(C)(C)S(C)(=O)=Nc1cn2ccc(-c3noc(C(F)(F)F)n3)cc2n1
InChIInChI=1S/C15H16F3N5O2S/c1-14(2,3)26(4,24)22-10-8-23-6-5-9(7-11(23)19-10)12-20-13(25-21-12)15(16,17)18/h5-8H,1-4H3
InChIKeyFWOABHFMTKPQBB-UHFFFAOYSA-N
MW387.39 g/mol
LogP3.93
Rot. Bonds2

About tert-butyl-methyl-oxo-[7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]imino-λ6-sulfane

tert-butyl-methyl-oxo-[7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]imino-λ6-sulfane (PubChem CID 164518360) has the molecular formula C15H16F3N5O2S and a molecular weight of 387.39 g/mol. Its IUPAC name is tert-butyl-methyl-oxo-[7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]imino-λ6-sulfane.

Molecular Properties

Compound Nametert-butyl-methyl-oxo-[7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]imino-λ6-sulfane
PubChem CID164518360
Molecular FormulaC15H16F3N5O2S
Molecular Weight387.39 g/mol
Exact Mass387.10
IUPAC Nametert-butyl-methyl-oxo-[7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]imino-λ6-sulfane
SMILESCC(C)(C)S(C)(=O)=Nc1cn2ccc(-c3noc(C(F)(F)F)n3)cc2n1
InChIInChI=1S/C15H16F3N5O2S/c1-14(2,3)26(4,24)22-10-8-23-6-5-9(7-11(23)19-10)12-20-13(25-21-12)15(16,17)18/h5-8H,1-4H3
InChIKeyFWOABHFMTKPQBB-UHFFFAOYSA-N
XLogP3.93
TPSA85.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[dimethyl(oxo)-λ6-sulfanylidene]-7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridine-2-carboxamide
CID 162532704
N-(tert-butyl-methyl-oxo-λ6-sulfanylidene)-7-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridine-2-carboxamide
CID 162532643
N-(tert-butyl-methyl-oxo-λ6-sulfanylidene)-2-[7-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]acetamide
CID 162532742
tert-butyl-[7-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-2-methylimidazo[1,2-a]pyridin-3-yl]imino-methyl-oxo-λ6-sulfane
CID 164518444
methyl-oxo-pyridin-2-yl-[[7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]methylimino]-λ6-sulfane
CID 164518377
N-[(4-chlorophenyl)-methyl-oxo-λ6-sulfanylidene]-7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridine-2-carboxamide
CID 162532699
N-[(4-methoxyphenyl)-methyl-oxo-λ6-sulfanylidene]-7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridine-2-carboxamide
CID 162532736
3-[2-(diethoxyphosphorylmethyl)imidazo[1,2-a]pyridin-7-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 162734295
3-[2-[(4-fluorophenyl)sulfanylmethyl]imidazo[1,2-a]pyridin-7-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 155708438
[7-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]methylimino-methyl-oxo-(3,3,3-trifluoropropyl)-λ6-sulfane
CID 164518472
N-(2-methoxyethyl)-7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridine-2-carboxamide
CID 162532709
3-[2-[(2-fluorophenyl)sulfanylmethyl]imidazo[1,2-a]pyridin-7-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 162532747

Frequently Asked Questions

What is the IUPAC name of tert-butyl-methyl-oxo-[7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]imino-λ6-sulfane?
The IUPAC name of tert-butyl-methyl-oxo-[7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]imino-λ6-sulfane (CID 164518360) is tert-butyl-methyl-oxo-[7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]imino-λ6-sulfane.
What is the SMILES notation for tert-butyl-methyl-oxo-[7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]imino-λ6-sulfane?
The canonical SMILES for tert-butyl-methyl-oxo-[7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]imino-λ6-sulfane is CC(C)(C)S(C)(=O)=Nc1cn2ccc(-c3noc(C(F)(F)F)n3)cc2n1.
What is the InChIKey of tert-butyl-methyl-oxo-[7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]imino-λ6-sulfane?
The InChIKey is FWOABHFMTKPQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N5O2S/c1-14(2,3)26(4,24)22-10-8-23-6-5-9(7-11(23)19-10)12-20-13(25-21-12)15(16,17)18/h5-8H,1-4H3.
What are the key properties of tert-butyl-methyl-oxo-[7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]imino-λ6-sulfane?
tert-butyl-methyl-oxo-[7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]imino-λ6-sulfane has a molecular weight of 387.39 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-methyl-oxo-[7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]imino-λ6-sulfane is sourced from PubChem (CID 164518360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).