N-(2,2-diethoxyethyl)-4-methylthiadiazole-5-carboxamide

C10H17N3O3S — CID 70606000

IUPACN-(2,2-diethoxyethyl)-4-methylthiadiazole-5-carboxamide
SMILESCCOC(CNC(=O)c1snnc1C)OCC
InChIInChI=1S/C10H17N3O3S/c1-4-15-8(16-5-2)6-11-10(14)9-7(3)12-13-17-9/h8H,4-6H2,1-3H3,(H,11,14)
InChIKeyNUKBBXLMLUPXDB-UHFFFAOYSA-N
MW259.33 g/mol
LogP0.98
Rot. Bonds7

About N-(2,2-diethoxyethyl)-4-methylthiadiazole-5-carboxamide

N-(2,2-diethoxyethyl)-4-methylthiadiazole-5-carboxamide (PubChem CID 70606000) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is N-(2,2-diethoxyethyl)-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,2-diethoxyethyl)-4-methylthiadiazole-5-carboxamide
PubChem CID70606000
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC NameN-(2,2-diethoxyethyl)-4-methylthiadiazole-5-carboxamide
SMILESCCOC(CNC(=O)c1snnc1C)OCC
InChIInChI=1S/C10H17N3O3S/c1-4-15-8(16-5-2)6-11-10(14)9-7(3)12-13-17-9/h8H,4-6H2,1-3H3,(H,11,14)
InChIKeyNUKBBXLMLUPXDB-UHFFFAOYSA-N
XLogP0.98
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethoxyethyl)-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-(2,2-diethoxyethyl)-4-methylthiadiazole-5-carboxamide (CID 70606000) is N-(2,2-diethoxyethyl)-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(2,2-diethoxyethyl)-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-(2,2-diethoxyethyl)-4-methylthiadiazole-5-carboxamide is CCOC(CNC(=O)c1snnc1C)OCC.
What is the InChIKey of N-(2,2-diethoxyethyl)-4-methylthiadiazole-5-carboxamide?
The InChIKey is NUKBBXLMLUPXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S/c1-4-15-8(16-5-2)6-11-10(14)9-7(3)12-13-17-9/h8H,4-6H2,1-3H3,(H,11,14).
What are the key properties of N-(2,2-diethoxyethyl)-4-methylthiadiazole-5-carboxamide?
N-(2,2-diethoxyethyl)-4-methylthiadiazole-5-carboxamide has a molecular weight of 259.33 g/mol, XLogP of 0.98, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethoxyethyl)-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 70606000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).