N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3,4-oxadiazol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclobutanecarboxamide

C18H21N7O4S — CID 167104456

IUPACN-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3,4-oxadiazol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclobutanecarboxamide
SMILESO=C(Nc1nc2cccc(-c3nnc(CN4CCS(=O)(=O)CC4)o3)n2n1)C1CCC1
InChIInChI=1S/C18H21N7O4S/c26-16(12-3-1-4-12)20-18-19-14-6-2-5-13(25(14)23-18)17-22-21-15(29-17)11-24-7-9-30(27,28)10-8-24/h2,5-6,12H,1,3-4,7-11H2,(H,20,23,26)
InChIKeyJSTWXHYXBLIFFA-UHFFFAOYSA-N
MW431.48 g/mol
LogP0.75
Rot. Bonds5

About N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3,4-oxadiazol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclobutanecarboxamide

N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3,4-oxadiazol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclobutanecarboxamide (PubChem CID 167104456) has the molecular formula C18H21N7O4S and a molecular weight of 431.48 g/mol. Its IUPAC name is N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3,4-oxadiazol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3,4-oxadiazol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclobutanecarboxamide
PubChem CID167104456
Molecular FormulaC18H21N7O4S
Molecular Weight431.48 g/mol
Exact Mass431.14
IUPAC NameN-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3,4-oxadiazol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclobutanecarboxamide
SMILESO=C(Nc1nc2cccc(-c3nnc(CN4CCS(=O)(=O)CC4)o3)n2n1)C1CCC1
InChIInChI=1S/C18H21N7O4S/c26-16(12-3-1-4-12)20-18-19-14-6-2-5-13(25(14)23-18)17-22-21-15(29-17)11-24-7-9-30(27,28)10-8-24/h2,5-6,12H,1,3-4,7-11H2,(H,20,23,26)
InChIKeyJSTWXHYXBLIFFA-UHFFFAOYSA-N
XLogP0.75
TPSA135.59 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.48
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3,4-oxadiazol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclobutanecarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3,4-oxadiazol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclobutanecarboxamide?
The IUPAC name of N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3,4-oxadiazol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclobutanecarboxamide (CID 167104456) is N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3,4-oxadiazol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3,4-oxadiazol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3,4-oxadiazol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclobutanecarboxamide is O=C(Nc1nc2cccc(-c3nnc(CN4CCS(=O)(=O)CC4)o3)n2n1)C1CCC1.
What is the InChIKey of N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3,4-oxadiazol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclobutanecarboxamide?
The InChIKey is JSTWXHYXBLIFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O4S/c26-16(12-3-1-4-12)20-18-19-14-6-2-5-13(25(14)23-18)17-22-21-15(29-17)11-24-7-9-30(27,28)10-8-24/h2,5-6,12H,1,3-4,7-11H2,(H,20,23,26).
What are the key properties of N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3,4-oxadiazol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclobutanecarboxamide?
N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3,4-oxadiazol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclobutanecarboxamide has a molecular weight of 431.48 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3,4-oxadiazol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclobutanecarboxamide is sourced from PubChem (CID 167104456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).