N'-ethylthiophene-2-carboximidamide

C7H10N2S — CID 63181982

IUPACN'-ethylthiophene-2-carboximidamide
SMILESCC/N=C(\N)c1cccs1
InChIInChI=1S/C7H10N2S/c1-2-9-7(8)6-4-3-5-10-6/h3-5H,2H2,1H3,(H2,8,9)
InChIKeyZYACDLLOCIULQB-UHFFFAOYSA-N
MW154.24 g/mol
LogP1.47
Rot. Bonds2

About N'-ethylthiophene-2-carboximidamide

N'-ethylthiophene-2-carboximidamide (PubChem CID 63181982) has the molecular formula C7H10N2S and a molecular weight of 154.24 g/mol. Its IUPAC name is N'-ethylthiophene-2-carboximidamide.

Molecular Properties

Compound NameN'-ethylthiophene-2-carboximidamide
PubChem CID63181982
Molecular FormulaC7H10N2S
Molecular Weight154.24 g/mol
Exact Mass154.06
IUPAC NameN'-ethylthiophene-2-carboximidamide
SMILESCC/N=C(\N)c1cccs1
InChIInChI=1S/C7H10N2S/c1-2-9-7(8)6-4-3-5-10-6/h3-5H,2H2,1H3,(H2,8,9)
InChIKeyZYACDLLOCIULQB-UHFFFAOYSA-N
XLogP1.47
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.24
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-ethylthiophene-2-carboximidamide?
The IUPAC name of N'-ethylthiophene-2-carboximidamide (CID 63181982) is N'-ethylthiophene-2-carboximidamide.
What is the SMILES notation for N'-ethylthiophene-2-carboximidamide?
The canonical SMILES for N'-ethylthiophene-2-carboximidamide is CC/N=C(\N)c1cccs1.
What is the InChIKey of N'-ethylthiophene-2-carboximidamide?
The InChIKey is ZYACDLLOCIULQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2S/c1-2-9-7(8)6-4-3-5-10-6/h3-5H,2H2,1H3,(H2,8,9).
What are the key properties of N'-ethylthiophene-2-carboximidamide?
N'-ethylthiophene-2-carboximidamide has a molecular weight of 154.24 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethylthiophene-2-carboximidamide is sourced from PubChem (CID 63181982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).