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

C7H10N2O2S — CID 142472765

IUPAC3-ethoxy-N'-hydroxythiophene-2-carboximidamide
SMILESCCOc1ccsc1/C(N)=N/O
InChIInChI=1S/C7H10N2O2S/c1-2-11-5-3-4-12-6(5)7(8)9-10/h3-4,10H,2H2,1H3,(H2,8,9)
InChIKeyNHDTWSBGAMCNBJ-UHFFFAOYSA-N
MW186.24 g/mol
LogP1.24
Rot. Bonds3

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

3-ethoxy-N'-hydroxythiophene-2-carboximidamide (PubChem CID 142472765) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is 3-ethoxy-N'-hydroxythiophene-2-carboximidamide.

Molecular Properties

Compound Name3-ethoxy-N'-hydroxythiophene-2-carboximidamide
PubChem CID142472765
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Name3-ethoxy-N'-hydroxythiophene-2-carboximidamide
SMILESCCOc1ccsc1/C(N)=N/O
InChIInChI=1S/C7H10N2O2S/c1-2-11-5-3-4-12-6(5)7(8)9-10/h3-4,10H,2H2,1H3,(H2,8,9)
InChIKeyNHDTWSBGAMCNBJ-UHFFFAOYSA-N
XLogP1.24
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 51.24
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 3-ethoxy-N'-hydroxythiophene-2-carboximidamide?
The IUPAC name of 3-ethoxy-N'-hydroxythiophene-2-carboximidamide (CID 142472765) is 3-ethoxy-N'-hydroxythiophene-2-carboximidamide.
What is the SMILES notation for 3-ethoxy-N'-hydroxythiophene-2-carboximidamide?
The canonical SMILES for 3-ethoxy-N'-hydroxythiophene-2-carboximidamide is CCOc1ccsc1/C(N)=N/O.
What is the InChIKey of 3-ethoxy-N'-hydroxythiophene-2-carboximidamide?
The InChIKey is NHDTWSBGAMCNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-2-11-5-3-4-12-6(5)7(8)9-10/h3-4,10H,2H2,1H3,(H2,8,9).
What are the key properties of 3-ethoxy-N'-hydroxythiophene-2-carboximidamide?
3-ethoxy-N'-hydroxythiophene-2-carboximidamide has a molecular weight of 186.24 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N'-hydroxythiophene-2-carboximidamide is sourced from PubChem (CID 142472765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).