ethane;3-ethoxy-N'-hydroxythiophene-2-carboximidamide

C9H16N2O2S — CID 142472764

IUPACethane;3-ethoxy-N'-hydroxythiophene-2-carboximidamide
SMILESCC.CCOc1ccsc1/C(N)=N/O
InChIInChI=1S/C7H10N2O2S.C2H6/c1-2-11-5-3-4-12-6(5)7(8)9-10;1-2/h3-4,10H,2H2,1H3,(H2,8,9);1-2H3
InChIKeyCEZDZZTZLJLPQD-UHFFFAOYSA-N
MW216.31 g/mol
LogP2.27
Rot. Bonds3

About ethane;3-ethoxy-N'-hydroxythiophene-2-carboximidamide

ethane;3-ethoxy-N'-hydroxythiophene-2-carboximidamide (PubChem CID 142472764) has the molecular formula C9H16N2O2S and a molecular weight of 216.31 g/mol. Its IUPAC name is ethane;3-ethoxy-N'-hydroxythiophene-2-carboximidamide.

Molecular Properties

Compound Nameethane;3-ethoxy-N'-hydroxythiophene-2-carboximidamide
PubChem CID142472764
Molecular FormulaC9H16N2O2S
Molecular Weight216.31 g/mol
Exact Mass216.09
IUPAC Nameethane;3-ethoxy-N'-hydroxythiophene-2-carboximidamide
SMILESCC.CCOc1ccsc1/C(N)=N/O
InChIInChI=1S/C7H10N2O2S.C2H6/c1-2-11-5-3-4-12-6(5)7(8)9-10;1-2/h3-4,10H,2H2,1H3,(H2,8,9);1-2H3
InChIKeyCEZDZZTZLJLPQD-UHFFFAOYSA-N
XLogP2.27
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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 ethane;3-ethoxy-N'-hydroxythiophene-2-carboximidamide?
The IUPAC name of ethane;3-ethoxy-N'-hydroxythiophene-2-carboximidamide (CID 142472764) is ethane;3-ethoxy-N'-hydroxythiophene-2-carboximidamide.
What is the SMILES notation for ethane;3-ethoxy-N'-hydroxythiophene-2-carboximidamide?
The canonical SMILES for ethane;3-ethoxy-N'-hydroxythiophene-2-carboximidamide is CC.CCOc1ccsc1/C(N)=N/O.
What is the InChIKey of ethane;3-ethoxy-N'-hydroxythiophene-2-carboximidamide?
The InChIKey is CEZDZZTZLJLPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S.C2H6/c1-2-11-5-3-4-12-6(5)7(8)9-10;1-2/h3-4,10H,2H2,1H3,(H2,8,9);1-2H3.
What are the key properties of ethane;3-ethoxy-N'-hydroxythiophene-2-carboximidamide?
ethane;3-ethoxy-N'-hydroxythiophene-2-carboximidamide has a molecular weight of 216.31 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethoxy-N'-hydroxythiophene-2-carboximidamide is sourced from PubChem (CID 142472764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).