N'-amino-4-methoxythiophene-2-carboximidamide

C6H9N3OS — CID 81124516

IUPACN'-amino-4-methoxythiophene-2-carboximidamide
SMILESCOc1csc(C(N)=NN)c1
InChIInChI=1S/C6H9N3OS/c1-10-4-2-5(11-3-4)6(7)9-8/h2-3H,8H2,1H3,(H2,7,9)
InChIKeyUJCRVGYRHKNXER-UHFFFAOYSA-N
MW171.23 g/mol
LogP0.34
Rot. Bonds2

About N'-amino-4-methoxythiophene-2-carboximidamide

N'-amino-4-methoxythiophene-2-carboximidamide (PubChem CID 81124516) has the molecular formula C6H9N3OS and a molecular weight of 171.23 g/mol. Its IUPAC name is N'-amino-4-methoxythiophene-2-carboximidamide.

Molecular Properties

Compound NameN'-amino-4-methoxythiophene-2-carboximidamide
PubChem CID81124516
Molecular FormulaC6H9N3OS
Molecular Weight171.23 g/mol
Exact Mass171.05
IUPAC NameN'-amino-4-methoxythiophene-2-carboximidamide
SMILESCOc1csc(C(N)=NN)c1
InChIInChI=1S/C6H9N3OS/c1-10-4-2-5(11-3-4)6(7)9-8/h2-3H,8H2,1H3,(H2,7,9)
InChIKeyUJCRVGYRHKNXER-UHFFFAOYSA-N
XLogP0.34
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.23
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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 N'-amino-4-methoxythiophene-2-carboximidamide?
The IUPAC name of N'-amino-4-methoxythiophene-2-carboximidamide (CID 81124516) is N'-amino-4-methoxythiophene-2-carboximidamide.
What is the SMILES notation for N'-amino-4-methoxythiophene-2-carboximidamide?
The canonical SMILES for N'-amino-4-methoxythiophene-2-carboximidamide is COc1csc(C(N)=NN)c1.
What is the InChIKey of N'-amino-4-methoxythiophene-2-carboximidamide?
The InChIKey is UJCRVGYRHKNXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3OS/c1-10-4-2-5(11-3-4)6(7)9-8/h2-3H,8H2,1H3,(H2,7,9).
What are the key properties of N'-amino-4-methoxythiophene-2-carboximidamide?
N'-amino-4-methoxythiophene-2-carboximidamide has a molecular weight of 171.23 g/mol, XLogP of 0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-4-methoxythiophene-2-carboximidamide is sourced from PubChem (CID 81124516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).