N-(2-ethoxyethyl)-4-methylthiadiazole-5-carboxamide

C8H13N3O2S — CID 70606268

IUPACN-(2-ethoxyethyl)-4-methylthiadiazole-5-carboxamide
SMILESCCOCCNC(=O)c1snnc1C
InChIInChI=1S/C8H13N3O2S/c1-3-13-5-4-9-8(12)7-6(2)10-11-14-7/h3-5H2,1-2H3,(H,9,12)
InChIKeyRAHFDQJLBRFBMX-UHFFFAOYSA-N
MW215.28 g/mol
LogP0.61
Rot. Bonds5

About N-(2-ethoxyethyl)-4-methylthiadiazole-5-carboxamide

N-(2-ethoxyethyl)-4-methylthiadiazole-5-carboxamide (PubChem CID 70606268) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-4-methylthiadiazole-5-carboxamide
PubChem CID70606268
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC NameN-(2-ethoxyethyl)-4-methylthiadiazole-5-carboxamide
SMILESCCOCCNC(=O)c1snnc1C
InChIInChI=1S/C8H13N3O2S/c1-3-13-5-4-9-8(12)7-6(2)10-11-14-7/h3-5H2,1-2H3,(H,9,12)
InChIKeyRAHFDQJLBRFBMX-UHFFFAOYSA-N
XLogP0.61
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-(2-ethoxyethyl)-4-methylthiadiazole-5-carboxamide (CID 70606268) is N-(2-ethoxyethyl)-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(2-ethoxyethyl)-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-(2-ethoxyethyl)-4-methylthiadiazole-5-carboxamide is CCOCCNC(=O)c1snnc1C.
What is the InChIKey of N-(2-ethoxyethyl)-4-methylthiadiazole-5-carboxamide?
The InChIKey is RAHFDQJLBRFBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-3-13-5-4-9-8(12)7-6(2)10-11-14-7/h3-5H2,1-2H3,(H,9,12).
What are the key properties of N-(2-ethoxyethyl)-4-methylthiadiazole-5-carboxamide?
N-(2-ethoxyethyl)-4-methylthiadiazole-5-carboxamide has a molecular weight of 215.28 g/mol, XLogP of 0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 70606268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).