amino 2-(2-methoxyethylamino)thiophene-3-carboximidate

C8H13N3O2S — CID 145236527

IUPACamino 2-(2-methoxyethylamino)thiophene-3-carboximidate
SMILES[H]/N=C(\ON)c1ccsc1NCCOC
InChIInChI=1S/C8H13N3O2S/c1-12-4-3-11-8-6(2-5-14-8)7(9)13-10/h2,5,9,11H,3-4,10H2,1H3/b9-7-
InChIKeyHZIJHTBZZLYKQB-CLFYSBASSA-N
MW215.28 g/mol
LogP1.02
Rot. Bonds5

About amino 2-(2-methoxyethylamino)thiophene-3-carboximidate

amino 2-(2-methoxyethylamino)thiophene-3-carboximidate (PubChem CID 145236527) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is amino 2-(2-methoxyethylamino)thiophene-3-carboximidate.

Molecular Properties

Compound Nameamino 2-(2-methoxyethylamino)thiophene-3-carboximidate
PubChem CID145236527
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC Nameamino 2-(2-methoxyethylamino)thiophene-3-carboximidate
SMILES[H]/N=C(\ON)c1ccsc1NCCOC
InChIInChI=1S/C8H13N3O2S/c1-12-4-3-11-8-6(2-5-14-8)7(9)13-10/h2,5,9,11H,3-4,10H2,1H3/b9-7-
InChIKeyHZIJHTBZZLYKQB-CLFYSBASSA-N
XLogP1.02
TPSA80.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of amino 2-(2-methoxyethylamino)thiophene-3-carboximidate?
The IUPAC name of amino 2-(2-methoxyethylamino)thiophene-3-carboximidate (CID 145236527) is amino 2-(2-methoxyethylamino)thiophene-3-carboximidate.
What is the SMILES notation for amino 2-(2-methoxyethylamino)thiophene-3-carboximidate?
The canonical SMILES for amino 2-(2-methoxyethylamino)thiophene-3-carboximidate is [H]/N=C(\ON)c1ccsc1NCCOC.
What is the InChIKey of amino 2-(2-methoxyethylamino)thiophene-3-carboximidate?
The InChIKey is HZIJHTBZZLYKQB-CLFYSBASSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-12-4-3-11-8-6(2-5-14-8)7(9)13-10/h2,5,9,11H,3-4,10H2,1H3/b9-7-.
What are the key properties of amino 2-(2-methoxyethylamino)thiophene-3-carboximidate?
amino 2-(2-methoxyethylamino)thiophene-3-carboximidate has a molecular weight of 215.28 g/mol, XLogP of 1.02, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for amino 2-(2-methoxyethylamino)thiophene-3-carboximidate is sourced from PubChem (CID 145236527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).