N-(2-methoxyethoxy)thiadiazole-5-carboxamide

C6H9N3O3S — CID 79673171

IUPACN-(2-methoxyethoxy)thiadiazole-5-carboxamide
SMILESCOCCONC(=O)c1cnns1
InChIInChI=1S/C6H9N3O3S/c1-11-2-3-12-8-6(10)5-4-7-9-13-5/h4H,2-3H2,1H3,(H,8,10)
InChIKeyJVULKPMBJVQORW-UHFFFAOYSA-N
MW203.22 g/mol
LogP-0.15
Rot. Bonds5

About N-(2-methoxyethoxy)thiadiazole-5-carboxamide

N-(2-methoxyethoxy)thiadiazole-5-carboxamide (PubChem CID 79673171) has the molecular formula C6H9N3O3S and a molecular weight of 203.22 g/mol. Its IUPAC name is N-(2-methoxyethoxy)thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethoxy)thiadiazole-5-carboxamide
PubChem CID79673171
Molecular FormulaC6H9N3O3S
Molecular Weight203.22 g/mol
Exact Mass203.04
IUPAC NameN-(2-methoxyethoxy)thiadiazole-5-carboxamide
SMILESCOCCONC(=O)c1cnns1
InChIInChI=1S/C6H9N3O3S/c1-11-2-3-12-8-6(10)5-4-7-9-13-5/h4H,2-3H2,1H3,(H,8,10)
InChIKeyJVULKPMBJVQORW-UHFFFAOYSA-N
XLogP-0.15
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.22
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethoxy)thiadiazole-5-carboxamide?
The IUPAC name of N-(2-methoxyethoxy)thiadiazole-5-carboxamide (CID 79673171) is N-(2-methoxyethoxy)thiadiazole-5-carboxamide.
What is the SMILES notation for N-(2-methoxyethoxy)thiadiazole-5-carboxamide?
The canonical SMILES for N-(2-methoxyethoxy)thiadiazole-5-carboxamide is COCCONC(=O)c1cnns1.
What is the InChIKey of N-(2-methoxyethoxy)thiadiazole-5-carboxamide?
The InChIKey is JVULKPMBJVQORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O3S/c1-11-2-3-12-8-6(10)5-4-7-9-13-5/h4H,2-3H2,1H3,(H,8,10).
What are the key properties of N-(2-methoxyethoxy)thiadiazole-5-carboxamide?
N-(2-methoxyethoxy)thiadiazole-5-carboxamide has a molecular weight of 203.22 g/mol, XLogP of -0.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethoxy)thiadiazole-5-carboxamide is sourced from PubChem (CID 79673171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).