N-amino-2-bromo-N'-ethylthiophene-3-carboximidamide

C7H10BrN3S — CID 164662343

IUPACN-amino-2-bromo-N'-ethylthiophene-3-carboximidamide
SMILESCC/N=C(\NN)c1ccsc1Br
InChIInChI=1S/C7H10BrN3S/c1-2-10-7(11-9)5-3-4-12-6(5)8/h3-4H,2,9H2,1H3,(H,10,11)
InChIKeyWBNVLCQAWRNHNX-UHFFFAOYSA-N
MW248.15 g/mol
LogP1.74
Rot. Bonds2

About N-amino-2-bromo-N'-ethylthiophene-3-carboximidamide

N-amino-2-bromo-N'-ethylthiophene-3-carboximidamide (PubChem CID 164662343) has the molecular formula C7H10BrN3S and a molecular weight of 248.15 g/mol. Its IUPAC name is N-amino-2-bromo-N'-ethylthiophene-3-carboximidamide.

Molecular Properties

Compound NameN-amino-2-bromo-N'-ethylthiophene-3-carboximidamide
PubChem CID164662343
Molecular FormulaC7H10BrN3S
Molecular Weight248.15 g/mol
Exact Mass246.98
IUPAC NameN-amino-2-bromo-N'-ethylthiophene-3-carboximidamide
SMILESCC/N=C(\NN)c1ccsc1Br
InChIInChI=1S/C7H10BrN3S/c1-2-10-7(11-9)5-3-4-12-6(5)8/h3-4H,2,9H2,1H3,(H,10,11)
InChIKeyWBNVLCQAWRNHNX-UHFFFAOYSA-N
XLogP1.74
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.15
LogP ≤ 51.74
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-2-bromo-N'-ethylthiophene-3-carboximidamide?
The IUPAC name of N-amino-2-bromo-N'-ethylthiophene-3-carboximidamide (CID 164662343) is N-amino-2-bromo-N'-ethylthiophene-3-carboximidamide.
What is the SMILES notation for N-amino-2-bromo-N'-ethylthiophene-3-carboximidamide?
The canonical SMILES for N-amino-2-bromo-N'-ethylthiophene-3-carboximidamide is CC/N=C(\NN)c1ccsc1Br.
What is the InChIKey of N-amino-2-bromo-N'-ethylthiophene-3-carboximidamide?
The InChIKey is WBNVLCQAWRNHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrN3S/c1-2-10-7(11-9)5-3-4-12-6(5)8/h3-4H,2,9H2,1H3,(H,10,11).
What are the key properties of N-amino-2-bromo-N'-ethylthiophene-3-carboximidamide?
N-amino-2-bromo-N'-ethylthiophene-3-carboximidamide has a molecular weight of 248.15 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-2-bromo-N'-ethylthiophene-3-carboximidamide is sourced from PubChem (CID 164662343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).