N-[dimethyl(oxo)-λ6-sulfanylidene]-7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridine-2-carboxamide

C13H10F3N5O3S — CID 162532704

IUPACN-[dimethyl(oxo)-λ6-sulfanylidene]-7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCS(C)(=O)=NC(=O)c1cn2ccc(-c3noc(C(F)(F)F)n3)cc2n1
InChIInChI=1S/C13H10F3N5O3S/c1-25(2,23)20-11(22)8-6-21-4-3-7(5-9(21)17-8)10-18-12(24-19-10)13(14,15)16/h3-6H,1-2H3
InChIKeyKCFCAHWAVVYIHU-UHFFFAOYSA-N
MW373.32 g/mol
LogP2.27
Rot. Bonds2

About N-[dimethyl(oxo)-λ6-sulfanylidene]-7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridine-2-carboxamide

N-[dimethyl(oxo)-λ6-sulfanylidene]-7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 162532704) has the molecular formula C13H10F3N5O3S and a molecular weight of 373.32 g/mol. Its IUPAC name is N-[dimethyl(oxo)-λ6-sulfanylidene]-7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[dimethyl(oxo)-λ6-sulfanylidene]-7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID162532704
Molecular FormulaC13H10F3N5O3S
Molecular Weight373.32 g/mol
Exact Mass373.05
IUPAC NameN-[dimethyl(oxo)-λ6-sulfanylidene]-7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCS(C)(=O)=NC(=O)c1cn2ccc(-c3noc(C(F)(F)F)n3)cc2n1
InChIInChI=1S/C13H10F3N5O3S/c1-25(2,23)20-11(22)8-6-21-4-3-7(5-9(21)17-8)10-18-12(24-19-10)13(14,15)16/h3-6H,1-2H3
InChIKeyKCFCAHWAVVYIHU-UHFFFAOYSA-N
XLogP2.27
TPSA102.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.32
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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
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
7-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-N-[methyl-(3-methylphenyl)-oxo-λ6-sulfanylidene]imidazo[1,2-a]pyridine-2-carboxamide
CID 162532666
7-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-N-[[3-(dimethylamino)phenyl]-methyl-oxo-λ6-sulfanylidene]imidazo[1,2-a]pyridine-2-carboxamide
CID 162532678
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
N-(2-methoxyethyl)-7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridine-2-carboxamide
CID 162532709
7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 162532689
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-(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
2-[7-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]-N-(methyl-oxo-propan-2-yl-λ6-sulfanylidene)acetamide
CID 162532733
3-[2-(diethoxyphosphorylmethyl)imidazo[1,2-a]pyridin-7-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 162734295

Frequently Asked Questions

What is the IUPAC name of N-[dimethyl(oxo)-λ6-sulfanylidene]-7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-[dimethyl(oxo)-λ6-sulfanylidene]-7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridine-2-carboxamide (CID 162532704) is N-[dimethyl(oxo)-λ6-sulfanylidene]-7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-[dimethyl(oxo)-λ6-sulfanylidene]-7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-[dimethyl(oxo)-λ6-sulfanylidene]-7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridine-2-carboxamide is CS(C)(=O)=NC(=O)c1cn2ccc(-c3noc(C(F)(F)F)n3)cc2n1.
What is the InChIKey of N-[dimethyl(oxo)-λ6-sulfanylidene]-7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is KCFCAHWAVVYIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N5O3S/c1-25(2,23)20-11(22)8-6-21-4-3-7(5-9(21)17-8)10-18-12(24-19-10)13(14,15)16/h3-6H,1-2H3.
What are the key properties of N-[dimethyl(oxo)-λ6-sulfanylidene]-7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridine-2-carboxamide?
N-[dimethyl(oxo)-λ6-sulfanylidene]-7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 373.32 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[dimethyl(oxo)-λ6-sulfanylidene]-7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 162532704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).