N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-5,5-dioxo-4H-[1,2,4]triazolo[5,1-c][1,2,4]benzothiadiazine-2-carboxamide

C18H19N7O4S — CID 154748377

IUPACN-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-5,5-dioxo-4H-[1,2,4]triazolo[5,1-c][1,2,4]benzothiadiazine-2-carboxamide
SMILESCc1nc(C2(NC(=O)c3nc4n(n3)-c3ccccc3S(=O)(=O)N4)CCCCC2)no1
InChIInChI=1S/C18H19N7O4S/c1-11-19-16(23-29-11)18(9-5-2-6-10-18)21-15(26)14-20-17-24-30(27,28)13-8-4-3-7-12(13)25(17)22-14/h3-4,7-8H,2,5-6,9-10H2,1H3,(H,21,26)(H,20,22,24)
InChIKeyWGMICHXEZMSFBB-UHFFFAOYSA-N
MW429.46 g/mol
LogP1.66
Rot. Bonds3

About N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-5,5-dioxo-4H-[1,2,4]triazolo[5,1-c][1,2,4]benzothiadiazine-2-carboxamide

N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-5,5-dioxo-4H-[1,2,4]triazolo[5,1-c][1,2,4]benzothiadiazine-2-carboxamide (PubChem CID 154748377) has the molecular formula C18H19N7O4S and a molecular weight of 429.46 g/mol. Its IUPAC name is N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-5,5-dioxo-4H-[1,2,4]triazolo[5,1-c][1,2,4]benzothiadiazine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-5,5-dioxo-4H-[1,2,4]triazolo[5,1-c][1,2,4]benzothiadiazine-2-carboxamide
PubChem CID154748377
Molecular FormulaC18H19N7O4S
Molecular Weight429.46 g/mol
Exact Mass429.12
IUPAC NameN-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-5,5-dioxo-4H-[1,2,4]triazolo[5,1-c][1,2,4]benzothiadiazine-2-carboxamide
SMILESCc1nc(C2(NC(=O)c3nc4n(n3)-c3ccccc3S(=O)(=O)N4)CCCCC2)no1
InChIInChI=1S/C18H19N7O4S/c1-11-19-16(23-29-11)18(9-5-2-6-10-18)21-15(26)14-20-17-24-30(27,28)13-8-4-3-7-12(13)25(17)22-14/h3-4,7-8H,2,5-6,9-10H2,1H3,(H,21,26)(H,20,22,24)
InChIKeyWGMICHXEZMSFBB-UHFFFAOYSA-N
XLogP1.66
TPSA144.90 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.46
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-5,5-dioxo-4H-[1,2,4]triazolo[5,1-c][1,2,4]benzothiadiazine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-5,5-dioxo-4H-[1,2,4]triazolo[5,1-c][1,2,4]benzothiadiazine-2-carboxamide?
The IUPAC name of N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-5,5-dioxo-4H-[1,2,4]triazolo[5,1-c][1,2,4]benzothiadiazine-2-carboxamide (CID 154748377) is N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-5,5-dioxo-4H-[1,2,4]triazolo[5,1-c][1,2,4]benzothiadiazine-2-carboxamide.
What is the SMILES notation for N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-5,5-dioxo-4H-[1,2,4]triazolo[5,1-c][1,2,4]benzothiadiazine-2-carboxamide?
The canonical SMILES for N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-5,5-dioxo-4H-[1,2,4]triazolo[5,1-c][1,2,4]benzothiadiazine-2-carboxamide is Cc1nc(C2(NC(=O)c3nc4n(n3)-c3ccccc3S(=O)(=O)N4)CCCCC2)no1.
What is the InChIKey of N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-5,5-dioxo-4H-[1,2,4]triazolo[5,1-c][1,2,4]benzothiadiazine-2-carboxamide?
The InChIKey is WGMICHXEZMSFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7O4S/c1-11-19-16(23-29-11)18(9-5-2-6-10-18)21-15(26)14-20-17-24-30(27,28)13-8-4-3-7-12(13)25(17)22-14/h3-4,7-8H,2,5-6,9-10H2,1H3,(H,21,26)(H,20,22,24).
What are the key properties of N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-5,5-dioxo-4H-[1,2,4]triazolo[5,1-c][1,2,4]benzothiadiazine-2-carboxamide?
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-5,5-dioxo-4H-[1,2,4]triazolo[5,1-c][1,2,4]benzothiadiazine-2-carboxamide has a molecular weight of 429.46 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-5,5-dioxo-4H-[1,2,4]triazolo[5,1-c][1,2,4]benzothiadiazine-2-carboxamide is sourced from PubChem (CID 154748377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).