5-(2-aminoethyl)thiophene-3-carboximidamide;hydrochloride

C7H12ClN3S — CID 169198244

IUPAC5-(2-aminoethyl)thiophene-3-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1csc(CCN)c1
InChIInChI=1S/C7H11N3S.ClH/c8-2-1-6-3-5(4-11-6)7(9)10;/h3-4H,1-2,8H2,(H3,9,10);1H
InChIKeyBFAWHMSLNJVXGY-UHFFFAOYSA-N
MW205.71 g/mol
LogP0.96
Rot. Bonds3

About 5-(2-aminoethyl)thiophene-3-carboximidamide;hydrochloride

5-(2-aminoethyl)thiophene-3-carboximidamide;hydrochloride (PubChem CID 169198244) has the molecular formula C7H12ClN3S and a molecular weight of 205.71 g/mol. Its IUPAC name is 5-(2-aminoethyl)thiophene-3-carboximidamide;hydrochloride.

Molecular Properties

Compound Name5-(2-aminoethyl)thiophene-3-carboximidamide;hydrochloride
PubChem CID169198244
Molecular FormulaC7H12ClN3S
Molecular Weight205.71 g/mol
Exact Mass205.04
IUPAC Name5-(2-aminoethyl)thiophene-3-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1csc(CCN)c1
InChIInChI=1S/C7H11N3S.ClH/c8-2-1-6-3-5(4-11-6)7(9)10;/h3-4H,1-2,8H2,(H3,9,10);1H
InChIKeyBFAWHMSLNJVXGY-UHFFFAOYSA-N
XLogP0.96
TPSA75.89 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.71
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(aminomethyl)thiophene-3-carboximidamide;dihydrochloride
CID 22716030
4-(2-aminoethyl)benzenecarboximidamide;dihydrochloride
CID 70294234
2-chloro-1,3-thiazole-4-carboximidamide;hydrochloride
CID 66769369
5-[(1R)-1-amino-2-methylpropyl]thiophene-3-carboximidamide
CID 163225050
5-(aminomethyl)thiophene-3-carboxamide;hydrochloride
CID 163226135
5-propylthiophene-3-carboxamide
CID 141324975
thiophene-3-carboximidamide;hydrochloride
CID 2779692
3,4-dimethylbenzenecarboximidamide;ethanamine
CID 142030148
2-[10-(5-carbamimidoyl-1-benzofuran-2-yl)decyl]-1-benzofuran-5-carboximidamide;dihydrochloride
CID 23655931
4-[3-(4-carbamimidoylphenoxy)propoxy]benzenecarboximidamide;hydrochloride
CID 44573593
4-(hydroxymethyl)benzenecarboximidamide;hydrochloride
CID 15597453
1-[2-[(4-butylbenzoyl)amino]acetyl]-N-[(4-carbamimidoylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide
CID 155144649

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)thiophene-3-carboximidamide;hydrochloride?
The IUPAC name of 5-(2-aminoethyl)thiophene-3-carboximidamide;hydrochloride (CID 169198244) is 5-(2-aminoethyl)thiophene-3-carboximidamide;hydrochloride.
What is the SMILES notation for 5-(2-aminoethyl)thiophene-3-carboximidamide;hydrochloride?
The canonical SMILES for 5-(2-aminoethyl)thiophene-3-carboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1csc(CCN)c1.
What is the InChIKey of 5-(2-aminoethyl)thiophene-3-carboximidamide;hydrochloride?
The InChIKey is BFAWHMSLNJVXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3S.ClH/c8-2-1-6-3-5(4-11-6)7(9)10;/h3-4H,1-2,8H2,(H3,9,10);1H.
What are the key properties of 5-(2-aminoethyl)thiophene-3-carboximidamide;hydrochloride?
5-(2-aminoethyl)thiophene-3-carboximidamide;hydrochloride has a molecular weight of 205.71 g/mol, XLogP of 0.96, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)thiophene-3-carboximidamide;hydrochloride is sourced from PubChem (CID 169198244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).