N-amino-N'-ethylthiophene-3-carboximidamide

C7H11N3S — CID 61362681

IUPACN-amino-N'-ethylthiophene-3-carboximidamide
SMILESCC/N=C(\NN)c1ccsc1
InChIInChI=1S/C7H11N3S/c1-2-9-7(10-8)6-3-4-11-5-6/h3-5H,2,8H2,1H3,(H,9,10)
InChIKeyIQKXOYOHUZDRTN-UHFFFAOYSA-N
MW169.25 g/mol
LogP0.98
Rot. Bonds2

About N-amino-N'-ethylthiophene-3-carboximidamide

N-amino-N'-ethylthiophene-3-carboximidamide (PubChem CID 61362681) has the molecular formula C7H11N3S and a molecular weight of 169.25 g/mol. Its IUPAC name is N-amino-N'-ethylthiophene-3-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-ethylthiophene-3-carboximidamide
PubChem CID61362681
Molecular FormulaC7H11N3S
Molecular Weight169.25 g/mol
Exact Mass169.07
IUPAC NameN-amino-N'-ethylthiophene-3-carboximidamide
SMILESCC/N=C(\NN)c1ccsc1
InChIInChI=1S/C7H11N3S/c1-2-9-7(10-8)6-3-4-11-5-6/h3-5H,2,8H2,1H3,(H,9,10)
InChIKeyIQKXOYOHUZDRTN-UHFFFAOYSA-N
XLogP0.98
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-N'-ethylthiophene-3-carboximidamide?
The IUPAC name of N-amino-N'-ethylthiophene-3-carboximidamide (CID 61362681) is N-amino-N'-ethylthiophene-3-carboximidamide.
What is the SMILES notation for N-amino-N'-ethylthiophene-3-carboximidamide?
The canonical SMILES for N-amino-N'-ethylthiophene-3-carboximidamide is CC/N=C(\NN)c1ccsc1.
What is the InChIKey of N-amino-N'-ethylthiophene-3-carboximidamide?
The InChIKey is IQKXOYOHUZDRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3S/c1-2-9-7(10-8)6-3-4-11-5-6/h3-5H,2,8H2,1H3,(H,9,10).
What are the key properties of N-amino-N'-ethylthiophene-3-carboximidamide?
N-amino-N'-ethylthiophene-3-carboximidamide has a molecular weight of 169.25 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-ethylthiophene-3-carboximidamide is sourced from PubChem (CID 61362681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).