N-tert-butyl-N-ethyl-4-methylthiadiazole-5-carboxamide

C10H17N3OS — CID 70658245

IUPACN-tert-butyl-N-ethyl-4-methylthiadiazole-5-carboxamide
SMILESCCN(C(=O)c1snnc1C)C(C)(C)C
InChIInChI=1S/C10H17N3OS/c1-6-13(10(3,4)5)9(14)8-7(2)11-12-15-8/h6H2,1-5H3
InChIKeyMEQDXCHSZHOGDX-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.11
Rot. Bonds2

About N-tert-butyl-N-ethyl-4-methylthiadiazole-5-carboxamide

N-tert-butyl-N-ethyl-4-methylthiadiazole-5-carboxamide (PubChem CID 70658245) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is N-tert-butyl-N-ethyl-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-N-ethyl-4-methylthiadiazole-5-carboxamide
PubChem CID70658245
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC NameN-tert-butyl-N-ethyl-4-methylthiadiazole-5-carboxamide
SMILESCCN(C(=O)c1snnc1C)C(C)(C)C
InChIInChI=1S/C10H17N3OS/c1-6-13(10(3,4)5)9(14)8-7(2)11-12-15-8/h6H2,1-5H3
InChIKeyMEQDXCHSZHOGDX-UHFFFAOYSA-N
XLogP2.11
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-ethyl-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-tert-butyl-N-ethyl-4-methylthiadiazole-5-carboxamide (CID 70658245) is N-tert-butyl-N-ethyl-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-tert-butyl-N-ethyl-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-tert-butyl-N-ethyl-4-methylthiadiazole-5-carboxamide is CCN(C(=O)c1snnc1C)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-ethyl-4-methylthiadiazole-5-carboxamide?
The InChIKey is MEQDXCHSZHOGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-6-13(10(3,4)5)9(14)8-7(2)11-12-15-8/h6H2,1-5H3.
What are the key properties of N-tert-butyl-N-ethyl-4-methylthiadiazole-5-carboxamide?
N-tert-butyl-N-ethyl-4-methylthiadiazole-5-carboxamide has a molecular weight of 227.33 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-ethyl-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 70658245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).