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

C16H16ClF2N5O3S — CID 162532643

About 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

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 (PubChem CID 162532643) has the molecular formula C16H16ClF2N5O3S and a molecular weight of 431.85 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 162532643
• Molecular Formula: C16H16ClF2N5O3S
• Molecular Weight: 431.85 g/mol
• Exact Mass: 431.06
• IUPAC Name: 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
• SMILES: CC(C)(C)S(C)(=O)=NC(=O)c1cn2ccc(-c3noc(C(F)(F)Cl)n3)cc2n1
• InChI: InChI=1S/C16H16ClF2N5O3S/c1-15(2,3)28(4,26)23-13(25)10-8-24-6-5-9(7-11(24)20-10)12-21-14(27-22-12)16(17,18)19/h5-8H,1-4H3
• InChIKey: QEGWLNQIYQDPIM-UHFFFAOYSA-N
• XLogP: 3.71
• TPSA: 102.72 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.85
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC(C)(C)S(C)(=O)=NC(=O)c1cn2ccc(-c3noc(C(F)(F)Cl)n3)cc2n1.

What is the InChIKey of 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?

The InChIKey is QEGWLNQIYQDPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF2N5O3S/c1-15(2,3)28(4,26)23-13(25)10-8-24-6-5-9(7-11(24)20-10)12-21-14(27-22-12)16(17,18)19/h5-8H,1-4H3.

What are the key properties of 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?

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 has a molecular weight of 431.85 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 162532643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).