3-ethoxy-N'-hydroxy-5-methylthiophene-2-carboximidamide

C8H12N2O2S — CID 142472961

IUPAC3-ethoxy-N'-hydroxy-5-methylthiophene-2-carboximidamide
SMILESCCOc1cc(C)sc1/C(N)=N/O
InChIInChI=1S/C8H12N2O2S/c1-3-12-6-4-5(2)13-7(6)8(9)10-11/h4,11H,3H2,1-2H3,(H2,9,10)
InChIKeyPIPYFQQGCBOIHW-UHFFFAOYSA-N
MW200.26 g/mol
LogP1.55
Rot. Bonds3

About 3-ethoxy-N'-hydroxy-5-methylthiophene-2-carboximidamide

3-ethoxy-N'-hydroxy-5-methylthiophene-2-carboximidamide (PubChem CID 142472961) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is 3-ethoxy-N'-hydroxy-5-methylthiophene-2-carboximidamide.

Molecular Properties

Compound Name3-ethoxy-N'-hydroxy-5-methylthiophene-2-carboximidamide
PubChem CID142472961
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Name3-ethoxy-N'-hydroxy-5-methylthiophene-2-carboximidamide
SMILESCCOc1cc(C)sc1/C(N)=N/O
InChIInChI=1S/C8H12N2O2S/c1-3-12-6-4-5(2)13-7(6)8(9)10-11/h4,11H,3H2,1-2H3,(H2,9,10)
InChIKeyPIPYFQQGCBOIHW-UHFFFAOYSA-N
XLogP1.55
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 51.55
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'-hydroxy-5-methylthiophene-2-carboximidamide?
The IUPAC name of 3-ethoxy-N'-hydroxy-5-methylthiophene-2-carboximidamide (CID 142472961) is 3-ethoxy-N'-hydroxy-5-methylthiophene-2-carboximidamide.
What is the SMILES notation for 3-ethoxy-N'-hydroxy-5-methylthiophene-2-carboximidamide?
The canonical SMILES for 3-ethoxy-N'-hydroxy-5-methylthiophene-2-carboximidamide is CCOc1cc(C)sc1/C(N)=N/O.
What is the InChIKey of 3-ethoxy-N'-hydroxy-5-methylthiophene-2-carboximidamide?
The InChIKey is PIPYFQQGCBOIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-3-12-6-4-5(2)13-7(6)8(9)10-11/h4,11H,3H2,1-2H3,(H2,9,10).
What are the key properties of 3-ethoxy-N'-hydroxy-5-methylthiophene-2-carboximidamide?
3-ethoxy-N'-hydroxy-5-methylthiophene-2-carboximidamide has a molecular weight of 200.26 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N'-hydroxy-5-methylthiophene-2-carboximidamide is sourced from PubChem (CID 142472961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).