N'-amino-4-methylthiophene-3-carboximidamide

C6H9N3S — CID 79808255

IUPACN'-amino-4-methylthiophene-3-carboximidamide
SMILESCc1cscc1C(N)=NN
InChIInChI=1S/C6H9N3S/c1-4-2-10-3-5(4)6(7)9-8/h2-3H,8H2,1H3,(H2,7,9)
InChIKeyYJLBITUYTGABPH-UHFFFAOYSA-N
MW155.23 g/mol
LogP0.64
Rot. Bonds1

About N'-amino-4-methylthiophene-3-carboximidamide

N'-amino-4-methylthiophene-3-carboximidamide (PubChem CID 79808255) has the molecular formula C6H9N3S and a molecular weight of 155.23 g/mol. Its IUPAC name is N'-amino-4-methylthiophene-3-carboximidamide.

Molecular Properties

Compound NameN'-amino-4-methylthiophene-3-carboximidamide
PubChem CID79808255
Molecular FormulaC6H9N3S
Molecular Weight155.23 g/mol
Exact Mass155.05
IUPAC NameN'-amino-4-methylthiophene-3-carboximidamide
SMILESCc1cscc1C(N)=NN
InChIInChI=1S/C6H9N3S/c1-4-2-10-3-5(4)6(7)9-8/h2-3H,8H2,1H3,(H2,7,9)
InChIKeyYJLBITUYTGABPH-UHFFFAOYSA-N
XLogP0.64
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.23
LogP ≤ 50.64
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-4-methylthiophene-3-carboximidamide?
The IUPAC name of N'-amino-4-methylthiophene-3-carboximidamide (CID 79808255) is N'-amino-4-methylthiophene-3-carboximidamide.
What is the SMILES notation for N'-amino-4-methylthiophene-3-carboximidamide?
The canonical SMILES for N'-amino-4-methylthiophene-3-carboximidamide is Cc1cscc1C(N)=NN.
What is the InChIKey of N'-amino-4-methylthiophene-3-carboximidamide?
The InChIKey is YJLBITUYTGABPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3S/c1-4-2-10-3-5(4)6(7)9-8/h2-3H,8H2,1H3,(H2,7,9).
What are the key properties of N'-amino-4-methylthiophene-3-carboximidamide?
N'-amino-4-methylthiophene-3-carboximidamide has a molecular weight of 155.23 g/mol, XLogP of 0.64, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-4-methylthiophene-3-carboximidamide is sourced from PubChem (CID 79808255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).