(2,6-dichlorophenyl)imino-methyl-[2-methyl-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-3-yl]-oxo-λ6-sulfane

C18H12Cl2F3N5O2S — CID 164518424

IUPAC(2,6-dichlorophenyl)imino-methyl-[2-methyl-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-3-yl]-oxo-λ6-sulfane
SMILESCc1nc2ccc(-c3noc(C(F)(F)F)n3)cn2c1S(C)(=O)=Nc1c(Cl)cccc1Cl
InChIInChI=1S/C18H12Cl2F3N5O2S/c1-9-16(31(2,29)27-14-11(19)4-3-5-12(14)20)28-8-10(6-7-13(28)24-9)15-25-17(30-26-15)18(21,22)23/h3-8H,1-2H3
InChIKeyHFFXOFTVXOZFNW-UHFFFAOYSA-N
MW490.29 g/mol
LogP5.81
Rot. Bonds3

About (2,6-dichlorophenyl)imino-methyl-[2-methyl-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-3-yl]-oxo-λ6-sulfane

(2,6-dichlorophenyl)imino-methyl-[2-methyl-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-3-yl]-oxo-λ6-sulfane (PubChem CID 164518424) has the molecular formula C18H12Cl2F3N5O2S and a molecular weight of 490.29 g/mol. Its IUPAC name is (2,6-dichlorophenyl)imino-methyl-[2-methyl-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-3-yl]-oxo-λ6-sulfane.

Molecular Properties

Compound Name(2,6-dichlorophenyl)imino-methyl-[2-methyl-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-3-yl]-oxo-λ6-sulfane
PubChem CID164518424
Molecular FormulaC18H12Cl2F3N5O2S
Molecular Weight490.29 g/mol
Exact Mass489.00
IUPAC Name(2,6-dichlorophenyl)imino-methyl-[2-methyl-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-3-yl]-oxo-λ6-sulfane
SMILESCc1nc2ccc(-c3noc(C(F)(F)F)n3)cn2c1S(C)(=O)=Nc1c(Cl)cccc1Cl
InChIInChI=1S/C18H12Cl2F3N5O2S/c1-9-16(31(2,29)27-14-11(19)4-3-5-12(14)20)28-8-10(6-7-13(28)24-9)15-25-17(30-26-15)18(21,22)23/h3-8H,1-2H3
InChIKeyHFFXOFTVXOZFNW-UHFFFAOYSA-N
XLogP5.81
TPSA85.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.29
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(4-chlorophenyl)methylimino-methyl-[2-methyl-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-3-yl]-oxo-λ6-sulfane
CID 164518461
[7-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-2-methylimidazo[1,2-a]pyridin-3-yl]imino-(2,6-dichlorophenyl)-methyl-oxo-λ6-sulfane
CID 164518346
methyl-oxo-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]imino-[4-(trifluoromethyl)phenyl]-λ6-sulfane
CID 155279202
(2,4-difluorophenyl)-methyl-oxo-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]imino-λ6-sulfane
CID 153332482
methyl-[2-methyl-7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-3-yl]imino-oxo-pyridin-3-yl-λ6-sulfane
CID 164518300
2-(2,6-dichlorophenyl)sulfanyl-1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanone
CID 155193360
(4-chlorophenyl)-methyl-oxo-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methylimino]-λ6-sulfane
CID 155269165
methyl-oxo-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methylimino]-[4-(trifluoromethyl)phenyl]-λ6-sulfane
CID 155279206
imino-methyl-oxo-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-λ6-sulfane
CID 139383494
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
3-[4-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 68828420
N-(methyl-oxo-phenyl-λ6-sulfanylidene)-2-[6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]acetamide
CID 162532721

Frequently Asked Questions

What is the IUPAC name of (2,6-dichlorophenyl)imino-methyl-[2-methyl-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-3-yl]-oxo-λ6-sulfane?
The IUPAC name of (2,6-dichlorophenyl)imino-methyl-[2-methyl-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-3-yl]-oxo-λ6-sulfane (CID 164518424) is (2,6-dichlorophenyl)imino-methyl-[2-methyl-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-3-yl]-oxo-λ6-sulfane.
What is the SMILES notation for (2,6-dichlorophenyl)imino-methyl-[2-methyl-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-3-yl]-oxo-λ6-sulfane?
The canonical SMILES for (2,6-dichlorophenyl)imino-methyl-[2-methyl-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-3-yl]-oxo-λ6-sulfane is Cc1nc2ccc(-c3noc(C(F)(F)F)n3)cn2c1S(C)(=O)=Nc1c(Cl)cccc1Cl.
What is the InChIKey of (2,6-dichlorophenyl)imino-methyl-[2-methyl-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-3-yl]-oxo-λ6-sulfane?
The InChIKey is HFFXOFTVXOZFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2F3N5O2S/c1-9-16(31(2,29)27-14-11(19)4-3-5-12(14)20)28-8-10(6-7-13(28)24-9)15-25-17(30-26-15)18(21,22)23/h3-8H,1-2H3.
What are the key properties of (2,6-dichlorophenyl)imino-methyl-[2-methyl-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-3-yl]-oxo-λ6-sulfane?
(2,6-dichlorophenyl)imino-methyl-[2-methyl-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-3-yl]-oxo-λ6-sulfane has a molecular weight of 490.29 g/mol, XLogP of 5.81, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichlorophenyl)imino-methyl-[2-methyl-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-3-yl]-oxo-λ6-sulfane is sourced from PubChem (CID 164518424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).