4-tert-butyl-N-methoxythiadiazole-5-carboxamide

C8H13N3O2S — CID 65210000

IUPAC4-tert-butyl-N-methoxythiadiazole-5-carboxamide
SMILESCONC(=O)c1snnc1C(C)(C)C
InChIInChI=1S/C8H13N3O2S/c1-8(2,3)6-5(14-11-9-6)7(12)10-13-4/h1-4H3,(H,10,12)
InChIKeyVKKKYXDDILDTEL-UHFFFAOYSA-N
MW215.28 g/mol
LogP1.13
Rot. Bonds2

About 4-tert-butyl-N-methoxythiadiazole-5-carboxamide

4-tert-butyl-N-methoxythiadiazole-5-carboxamide (PubChem CID 65210000) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is 4-tert-butyl-N-methoxythiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-methoxythiadiazole-5-carboxamide
PubChem CID65210000
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC Name4-tert-butyl-N-methoxythiadiazole-5-carboxamide
SMILESCONC(=O)c1snnc1C(C)(C)C
InChIInChI=1S/C8H13N3O2S/c1-8(2,3)6-5(14-11-9-6)7(12)10-13-4/h1-4H3,(H,10,12)
InChIKeyVKKKYXDDILDTEL-UHFFFAOYSA-N
XLogP1.13
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-tert-butyl-N-methoxythiadiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-methoxythiadiazole-5-carboxamide?
The IUPAC name of 4-tert-butyl-N-methoxythiadiazole-5-carboxamide (CID 65210000) is 4-tert-butyl-N-methoxythiadiazole-5-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-methoxythiadiazole-5-carboxamide?
The canonical SMILES for 4-tert-butyl-N-methoxythiadiazole-5-carboxamide is CONC(=O)c1snnc1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-N-methoxythiadiazole-5-carboxamide?
The InChIKey is VKKKYXDDILDTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-8(2,3)6-5(14-11-9-6)7(12)10-13-4/h1-4H3,(H,10,12).
What are the key properties of 4-tert-butyl-N-methoxythiadiazole-5-carboxamide?
4-tert-butyl-N-methoxythiadiazole-5-carboxamide has a molecular weight of 215.28 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-methoxythiadiazole-5-carboxamide is sourced from PubChem (CID 65210000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).