N-(2-methoxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide

C7H12N4O2S — CID 80615073

IUPACN-(2-methoxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCNc1nnc(C(=O)NCCOC)s1
InChIInChI=1S/C7H12N4O2S/c1-8-7-11-10-6(14-7)5(12)9-3-4-13-2/h3-4H2,1-2H3,(H,8,11)(H,9,12)
InChIKeyOQANKAHIKURJJF-UHFFFAOYSA-N
MW216.27 g/mol
LogP-0.04
Rot. Bonds5

About N-(2-methoxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide

N-(2-methoxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80615073) has the molecular formula C7H12N4O2S and a molecular weight of 216.27 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80615073
Molecular FormulaC7H12N4O2S
Molecular Weight216.27 g/mol
Exact Mass216.07
IUPAC NameN-(2-methoxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCNc1nnc(C(=O)NCCOC)s1
InChIInChI=1S/C7H12N4O2S/c1-8-7-11-10-6(14-7)5(12)9-3-4-13-2/h3-4H2,1-2H3,(H,8,11)(H,9,12)
InChIKeyOQANKAHIKURJJF-UHFFFAOYSA-N
XLogP-0.04
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.27
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(2-methoxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[[5-(methylamino)-1,3,4-thiadiazole-2-carbonyl]amino]ethyl carbamate
CID 83215592
5-(methylamino)-N-(3-methylbutyl)-1,3,4-thiadiazole-2-carboxamide
CID 80618607
N-(2-methoxypropyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 102700572
5-(methylamino)-N-[3-oxo-3-(propylamino)propyl]-1,3,4-thiadiazole-2-carboxamide
CID 80617281
N-methyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 12639716
N-[2-(ethylsulfamoyl)ethyl]-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 106342589
N-[2-(ethylamino)-2-oxoethyl]-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615644
N-(3-cyclopentylpropyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 106015395
N-butan-2-yl-N-(2-methoxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80616864
N-(2-imidazol-1-ylethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80617458
N-(2-butoxyethyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80617528
N-tert-butyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615607

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide (CID 80615073) is N-(2-methoxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide is CNc1nnc(C(=O)NCCOC)s1.
What is the InChIKey of N-(2-methoxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is OQANKAHIKURJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2S/c1-8-7-11-10-6(14-7)5(12)9-3-4-13-2/h3-4H2,1-2H3,(H,8,11)(H,9,12).
What are the key properties of N-(2-methoxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
N-(2-methoxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 216.27 g/mol, XLogP of -0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80615073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).