4-tert-butyl-N-(2,2-dimethoxyethyl)thiadiazole-5-carboxamide

C11H19N3O3S — CID 65204875

IUPAC4-tert-butyl-N-(2,2-dimethoxyethyl)thiadiazole-5-carboxamide
SMILESCOC(CNC(=O)c1snnc1C(C)(C)C)OC
InChIInChI=1S/C11H19N3O3S/c1-11(2,3)9-8(18-14-13-9)10(15)12-6-7(16-4)17-5/h7H,6H2,1-5H3,(H,12,15)
InChIKeyZPGUBYRYYITHDZ-UHFFFAOYSA-N
MW273.36 g/mol
LogP1.18
Rot. Bonds5

About 4-tert-butyl-N-(2,2-dimethoxyethyl)thiadiazole-5-carboxamide

4-tert-butyl-N-(2,2-dimethoxyethyl)thiadiazole-5-carboxamide (PubChem CID 65204875) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is 4-tert-butyl-N-(2,2-dimethoxyethyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-(2,2-dimethoxyethyl)thiadiazole-5-carboxamide
PubChem CID65204875
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC Name4-tert-butyl-N-(2,2-dimethoxyethyl)thiadiazole-5-carboxamide
SMILESCOC(CNC(=O)c1snnc1C(C)(C)C)OC
InChIInChI=1S/C11H19N3O3S/c1-11(2,3)9-8(18-14-13-9)10(15)12-6-7(16-4)17-5/h7H,6H2,1-5H3,(H,12,15)
InChIKeyZPGUBYRYYITHDZ-UHFFFAOYSA-N
XLogP1.18
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 51.18
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 4-tert-butyl-N-(2,2-dimethoxyethyl)thiadiazole-5-carboxamide?
The IUPAC name of 4-tert-butyl-N-(2,2-dimethoxyethyl)thiadiazole-5-carboxamide (CID 65204875) is 4-tert-butyl-N-(2,2-dimethoxyethyl)thiadiazole-5-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-(2,2-dimethoxyethyl)thiadiazole-5-carboxamide?
The canonical SMILES for 4-tert-butyl-N-(2,2-dimethoxyethyl)thiadiazole-5-carboxamide is COC(CNC(=O)c1snnc1C(C)(C)C)OC.
What is the InChIKey of 4-tert-butyl-N-(2,2-dimethoxyethyl)thiadiazole-5-carboxamide?
The InChIKey is ZPGUBYRYYITHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/c1-11(2,3)9-8(18-14-13-9)10(15)12-6-7(16-4)17-5/h7H,6H2,1-5H3,(H,12,15).
What are the key properties of 4-tert-butyl-N-(2,2-dimethoxyethyl)thiadiazole-5-carboxamide?
4-tert-butyl-N-(2,2-dimethoxyethyl)thiadiazole-5-carboxamide has a molecular weight of 273.36 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(2,2-dimethoxyethyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 65204875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).