N-(1,1-dioxothiolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide

C8H9N5O3S2 — CID 110384620

IUPACN-(1,1-dioxothiolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
SMILESO=C(NC1CCS(=O)(=O)C1)c1nn2cnnc2s1
InChIInChI=1S/C8H9N5O3S2/c14-6(10-5-1-2-18(15,16)3-5)7-12-13-4-9-11-8(13)17-7/h4-5H,1-3H2,(H,10,14)
InChIKeyPEQGKEJGEDVKIF-UHFFFAOYSA-N
MW287.33 g/mol
LogP-0.90
Rot. Bonds2

About N-(1,1-dioxothiolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide

N-(1,1-dioxothiolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide (PubChem CID 110384620) has the molecular formula C8H9N5O3S2 and a molecular weight of 287.33 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
PubChem CID110384620
Molecular FormulaC8H9N5O3S2
Molecular Weight287.33 g/mol
Exact Mass287.01
IUPAC NameN-(1,1-dioxothiolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
SMILESO=C(NC1CCS(=O)(=O)C1)c1nn2cnnc2s1
InChIInChI=1S/C8H9N5O3S2/c14-6(10-5-1-2-18(15,16)3-5)7-12-13-4-9-11-8(13)17-7/h4-5H,1-3H2,(H,10,14)
InChIKeyPEQGKEJGEDVKIF-UHFFFAOYSA-N
XLogP-0.90
TPSA106.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 5-0.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(1,1-dioxothiolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide with MolForge

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Related Compounds

N-cyclohexyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
CID 110384580
5-amino-N-(1,1-dioxothiolan-3-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80617754
N-(1,1-dioxothiolan-3-yl)pyridazine-3-carboxamide
CID 110852783
N,N'-bis[(3S)-1,1-dioxothiolan-3-yl]oxamide
CID 7102189
N-(1,1-dioxothiolan-3-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 110852841
N-(1,1-dioxothiolan-3-yl)-1,3-oxazole-4-carboxamide
CID 110689494
N-(1,1-dioxothiolan-3-yl)pyrazolo[1,5-a]pyridine-2-carboxamide
CID 46287275
N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 40634625
N-cyclopropyl-N'-(1,1-dioxothiolan-3-yl)oxamide
CID 108526860
(2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 9378540
N-(1,1-dioxothiolan-3-yl)-2,6-dihydroxybenzamide
CID 103749000
N-(1,1-dioxothiolan-3-yl)-1H-pyrazole-4-carboxamide
CID 43533019

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide (CID 110384620) is N-(1,1-dioxothiolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide is O=C(NC1CCS(=O)(=O)C1)c1nn2cnnc2s1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide?
The InChIKey is PEQGKEJGEDVKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O3S2/c14-6(10-5-1-2-18(15,16)3-5)7-12-13-4-9-11-8(13)17-7/h4-5H,1-3H2,(H,10,14).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide?
N-(1,1-dioxothiolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide has a molecular weight of 287.33 g/mol, XLogP of -0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide is sourced from PubChem (CID 110384620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).