N-[2-(2-methoxyethylamino)ethyl]thiadiazole-4-carboxamide

C8H14N4O2S — CID 82993492

IUPACN-[2-(2-methoxyethylamino)ethyl]thiadiazole-4-carboxamide
SMILESCOCCNCCNC(=O)c1csnn1
InChIInChI=1S/C8H14N4O2S/c1-14-5-4-9-2-3-10-8(13)7-6-15-12-11-7/h6,9H,2-5H2,1H3,(H,10,13)
InChIKeyIVTYKGAKDXVCTA-UHFFFAOYSA-N
MW230.29 g/mol
LogP-0.50
Rot. Bonds7

About N-[2-(2-methoxyethylamino)ethyl]thiadiazole-4-carboxamide

N-[2-(2-methoxyethylamino)ethyl]thiadiazole-4-carboxamide (PubChem CID 82993492) has the molecular formula C8H14N4O2S and a molecular weight of 230.29 g/mol. Its IUPAC name is N-[2-(2-methoxyethylamino)ethyl]thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyethylamino)ethyl]thiadiazole-4-carboxamide
PubChem CID82993492
Molecular FormulaC8H14N4O2S
Molecular Weight230.29 g/mol
Exact Mass230.08
IUPAC NameN-[2-(2-methoxyethylamino)ethyl]thiadiazole-4-carboxamide
SMILESCOCCNCCNC(=O)c1csnn1
InChIInChI=1S/C8H14N4O2S/c1-14-5-4-9-2-3-10-8(13)7-6-15-12-11-7/h6,9H,2-5H2,1H3,(H,10,13)
InChIKeyIVTYKGAKDXVCTA-UHFFFAOYSA-N
XLogP-0.50
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methoxyethylamino)ethyl]-1,2,5-thiadiazole-3-carboxamide
CID 82994696
2-hydroxy-N-[2-(2-methoxyethylamino)ethyl]benzamide
CID 83039586
N-(2-piperidin-4-yloxyethyl)thiadiazole-4-carboxamide
CID 65215902
5-methoxy-2-(thiadiazole-4-carbonylamino)pentanoic acid
CID 81076497
N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]thiadiazole-4-carboxamide
CID 71917382
N-[2-(2-methoxyethylamino)ethyl]-2-pyridin-4-ylacetamide
CID 83039476
methyl 3-[2-methoxyethyl(thiadiazole-4-carbonyl)amino]propanoate
CID 78959965
N-(2-bromo-4,4-dimethylpentyl)thiadiazole-4-carboxamide
CID 107156631
2-(2,3-difluorophenyl)-N-[2-(2-methoxyethylamino)ethyl]acetamide
CID 82994529
4-[2-(thiadiazole-4-carbonylamino)ethyl]heptanoic acid
CID 65214664
N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]thiadiazole-4-carboxamide
CID 46998399
N-(1H-pyrazol-4-ylmethyl)thiadiazole-4-carboxamide
CID 65215949

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethylamino)ethyl]thiadiazole-4-carboxamide?
The IUPAC name of N-[2-(2-methoxyethylamino)ethyl]thiadiazole-4-carboxamide (CID 82993492) is N-[2-(2-methoxyethylamino)ethyl]thiadiazole-4-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyethylamino)ethyl]thiadiazole-4-carboxamide?
The canonical SMILES for N-[2-(2-methoxyethylamino)ethyl]thiadiazole-4-carboxamide is COCCNCCNC(=O)c1csnn1.
What is the InChIKey of N-[2-(2-methoxyethylamino)ethyl]thiadiazole-4-carboxamide?
The InChIKey is IVTYKGAKDXVCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2S/c1-14-5-4-9-2-3-10-8(13)7-6-15-12-11-7/h6,9H,2-5H2,1H3,(H,10,13).
What are the key properties of N-[2-(2-methoxyethylamino)ethyl]thiadiazole-4-carboxamide?
N-[2-(2-methoxyethylamino)ethyl]thiadiazole-4-carboxamide has a molecular weight of 230.29 g/mol, XLogP of -0.50, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethylamino)ethyl]thiadiazole-4-carboxamide is sourced from PubChem (CID 82993492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).