N-[2-(2-methoxyethylamino)ethyl]-1,2,5-thiadiazole-3-carboxamide

C8H14N4O2S — CID 82994696

IUPACN-[2-(2-methoxyethylamino)ethyl]-1,2,5-thiadiazole-3-carboxamide
SMILESCOCCNCCNC(=O)c1cnsn1
InChIInChI=1S/C8H14N4O2S/c1-14-5-4-9-2-3-10-8(13)7-6-11-15-12-7/h6,9H,2-5H2,1H3,(H,10,13)
InChIKeyQJCJVTWBGXCEAM-UHFFFAOYSA-N
MW230.29 g/mol
LogP-0.50
Rot. Bonds7

About N-[2-(2-methoxyethylamino)ethyl]-1,2,5-thiadiazole-3-carboxamide

N-[2-(2-methoxyethylamino)ethyl]-1,2,5-thiadiazole-3-carboxamide (PubChem CID 82994696) has the molecular formula C8H14N4O2S and a molecular weight of 230.29 g/mol. Its IUPAC name is N-[2-(2-methoxyethylamino)ethyl]-1,2,5-thiadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyethylamino)ethyl]-1,2,5-thiadiazole-3-carboxamide
PubChem CID82994696
Molecular FormulaC8H14N4O2S
Molecular Weight230.29 g/mol
Exact Mass230.08
IUPAC NameN-[2-(2-methoxyethylamino)ethyl]-1,2,5-thiadiazole-3-carboxamide
SMILESCOCCNCCNC(=O)c1cnsn1
InChIInChI=1S/C8H14N4O2S/c1-14-5-4-9-2-3-10-8(13)7-6-11-15-12-7/h6,9H,2-5H2,1H3,(H,10,13)
InChIKeyQJCJVTWBGXCEAM-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]thiadiazole-4-carboxamide
CID 82993492
2-methoxy-3-(1,2,5-thiadiazole-3-carbonylamino)propanoic acid
CID 106107261
ethyl 2-(1,2,5-thiadiazole-3-carbonylamino)acetate
CID 47257748
(2S)-2-hydroxy-4-(1,2,5-thiadiazole-3-carbonylamino)butanoic acid
CID 107834931
N-(3-methyl-2-oxobutyl)-1,2,5-thiadiazole-3-carboxamide
CID 91648581
N-(2-cyclohexylethyl)-1,2,5-thiadiazole-3-carboxamide
CID 47338961
2-hydroxy-N-[2-(2-methoxyethylamino)ethyl]benzamide
CID 83039586
methyl 2-[(2-methoxy-2-oxoethyl)-(1,2,5-thiadiazole-3-carbonyl)amino]acetate
CID 62953312
4,5-dibromo-N-[2-(2-methoxyethylamino)ethyl]thiophene-2-carboxamide
CID 82994332
N-[2-(2-methoxyethylamino)ethyl]-2-pyridin-4-ylacetamide
CID 83039476
N-[(3-methoxy-4-propoxyphenyl)methyl]-1,2,5-thiadiazole-3-carboxamide
CID 87040686
1-(2-methoxyethylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 60904146

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethylamino)ethyl]-1,2,5-thiadiazole-3-carboxamide?
The IUPAC name of N-[2-(2-methoxyethylamino)ethyl]-1,2,5-thiadiazole-3-carboxamide (CID 82994696) is N-[2-(2-methoxyethylamino)ethyl]-1,2,5-thiadiazole-3-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyethylamino)ethyl]-1,2,5-thiadiazole-3-carboxamide?
The canonical SMILES for N-[2-(2-methoxyethylamino)ethyl]-1,2,5-thiadiazole-3-carboxamide is COCCNCCNC(=O)c1cnsn1.
What is the InChIKey of N-[2-(2-methoxyethylamino)ethyl]-1,2,5-thiadiazole-3-carboxamide?
The InChIKey is QJCJVTWBGXCEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2S/c1-14-5-4-9-2-3-10-8(13)7-6-11-15-12-7/h6,9H,2-5H2,1H3,(H,10,13).
What are the key properties of N-[2-(2-methoxyethylamino)ethyl]-1,2,5-thiadiazole-3-carboxamide?
N-[2-(2-methoxyethylamino)ethyl]-1,2,5-thiadiazole-3-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]-1,2,5-thiadiazole-3-carboxamide is sourced from PubChem (CID 82994696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).