N-[5-[5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1,3,4-thiadiazol-2-yl]-2-pyridinyl]-2,2-difluoroacetamide

C18H11F4N7O2S — CID 162722758

IUPACN-[5-[5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1,3,4-thiadiazol-2-yl]-2-pyridinyl]-2,2-difluoroacetamide
SMILESO=C(Nc1ccc(-c2nnc(Cc3ccc(-c4nnc(C(F)F)o4)cn3)s2)cn1)C(F)F
InChIInChI=1S/C18H11F4N7O2S/c19-13(20)15(30)25-11-4-2-9(7-24-11)18-29-26-12(32-18)5-10-3-1-8(6-23-10)16-27-28-17(31-16)14(21)22/h1-4,6-7,13-14H,5H2,(H,24,25,30)
InChIKeyARHJHNXRGJPESX-UHFFFAOYSA-N
MW465.39 g/mol
LogP3.78
Rot. Bonds7

About N-[5-[5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1,3,4-thiadiazol-2-yl]-2-pyridinyl]-2,2-difluoroacetamide

N-[5-[5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1,3,4-thiadiazol-2-yl]-2-pyridinyl]-2,2-difluoroacetamide (PubChem CID 162722758) has the molecular formula C18H11F4N7O2S and a molecular weight of 465.39 g/mol. Its IUPAC name is N-[5-[5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1,3,4-thiadiazol-2-yl]-2-pyridinyl]-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-[5-[5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1,3,4-thiadiazol-2-yl]-2-pyridinyl]-2,2-difluoroacetamide
PubChem CID162722758
Molecular FormulaC18H11F4N7O2S
Molecular Weight465.39 g/mol
Exact Mass465.06
IUPAC NameN-[5-[5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1,3,4-thiadiazol-2-yl]-2-pyridinyl]-2,2-difluoroacetamide
SMILESO=C(Nc1ccc(-c2nnc(Cc3ccc(-c4nnc(C(F)F)o4)cn3)s2)cn1)C(F)F
InChIInChI=1S/C18H11F4N7O2S/c19-13(20)15(30)25-11-4-2-9(7-24-11)18-29-26-12(32-18)5-10-3-1-8(6-23-10)16-27-28-17(31-16)14(21)22/h1-4,6-7,13-14H,5H2,(H,24,25,30)
InChIKeyARHJHNXRGJPESX-UHFFFAOYSA-N
XLogP3.78
TPSA119.58 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.39
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[5-[5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1,3,4-thiadiazol-2-yl]-2-pyridinyl]-2,2-difluoroacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Ethyl-3-[5-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]urea
CID 44205420
N-(2-pyridinyl)-2-[[5-(3-pyridinyl)-1,3,4-oxadiazol-2-yl]thio]acetamide
CID 974453
4-[3-chloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyridin-2-yl]-N-[5-(trifluoromethyl)pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 90380957
5-[1-[[5-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluoro-2-pyridinyl]methyl]triazol-4-yl]pyridin-2-amine
CID 162721876
5-(1-((5-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)pyridin-2-yl)methyl)-1H-1,2,3-triazol-4-yl)pyridin-2-amine
CID 162721935
5-(1-(1-(5-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)pyridin-2-yl)ethyl)-1H-1,2,3-triazol-4-yl)pyridin-2-amine
CID 162722116
5-(5-(4-(5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl)benzyl)-1,3,4-oxadiazol-2-yl)pyridin-2-amine
CID 162722250
5-(1-((5-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)pyridin-2-yl)methyl)-1H-pyrazol-4-yl)pyridin-2-amine
CID 162722416
N-(5-(1-((5-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)pyridin-2-yl)methyl)-1H-imidazol-4-yl)pyridin-2-yl)-2,2-difluoroacetamide
CID 162722574
5-(1-((5-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)pyridin-2-yl)methyl)-1H-imidazol-4-yl)pyridin-2-amine
CID 162722708
(S)-5-(1-(1-(5-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)pyridin-2-yl)ethyl)-1H-1,2,3-triazol-4-yl)pyridin-2-amine
CID 162722719
(R)-5-(1-(1-(5-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)pyridin-2-yl)ethyl)-1H-1,2,3-triazol-4-yl)pyridin-2-amine
CID 162722751

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1,3,4-thiadiazol-2-yl]-2-pyridinyl]-2,2-difluoroacetamide?
The IUPAC name of N-[5-[5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1,3,4-thiadiazol-2-yl]-2-pyridinyl]-2,2-difluoroacetamide (CID 162722758) is N-[5-[5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1,3,4-thiadiazol-2-yl]-2-pyridinyl]-2,2-difluoroacetamide.
What is the SMILES notation for N-[5-[5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1,3,4-thiadiazol-2-yl]-2-pyridinyl]-2,2-difluoroacetamide?
The canonical SMILES for N-[5-[5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1,3,4-thiadiazol-2-yl]-2-pyridinyl]-2,2-difluoroacetamide is O=C(Nc1ccc(-c2nnc(Cc3ccc(-c4nnc(C(F)F)o4)cn3)s2)cn1)C(F)F.
What is the InChIKey of N-[5-[5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1,3,4-thiadiazol-2-yl]-2-pyridinyl]-2,2-difluoroacetamide?
The InChIKey is ARHJHNXRGJPESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F4N7O2S/c19-13(20)15(30)25-11-4-2-9(7-24-11)18-29-26-12(32-18)5-10-3-1-8(6-23-10)16-27-28-17(31-16)14(21)22/h1-4,6-7,13-14H,5H2,(H,24,25,30).
What are the key properties of N-[5-[5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1,3,4-thiadiazol-2-yl]-2-pyridinyl]-2,2-difluoroacetamide?
N-[5-[5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1,3,4-thiadiazol-2-yl]-2-pyridinyl]-2,2-difluoroacetamide has a molecular weight of 465.39 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1,3,4-thiadiazol-2-yl]-2-pyridinyl]-2,2-difluoroacetamide is sourced from PubChem (CID 162722758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).