thiophene-3-carboximidamide;hydrochloride

C5H7ClN2S — CID 2779692

IUPACthiophene-3-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccsc1
InChIInChI=1S/C5H6N2S.ClH/c6-5(7)4-1-2-8-3-4;/h1-3H,(H3,6,7);1H
InChIKeyCAUZIIYPBLBRFI-UHFFFAOYSA-N
MW162.65 g/mol
LogP1.45
Rot. Bonds1

About thiophene-3-carboximidamide;hydrochloride

thiophene-3-carboximidamide;hydrochloride (PubChem CID 2779692) has the molecular formula C5H7ClN2S and a molecular weight of 162.65 g/mol. Its IUPAC name is thiophene-3-carboximidamide;hydrochloride.

Molecular Properties

Compound Namethiophene-3-carboximidamide;hydrochloride
PubChem CID2779692
Molecular FormulaC5H7ClN2S
Molecular Weight162.65 g/mol
Exact Mass162.00
IUPAC Namethiophene-3-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccsc1
InChIInChI=1S/C5H6N2S.ClH/c6-5(7)4-1-2-8-3-4;/h1-3H,(H3,6,7);1H
InChIKeyCAUZIIYPBLBRFI-UHFFFAOYSA-N
XLogP1.45
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.65
LogP ≤ 51.45
H-Bond Donors ≤ 52
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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Related Compounds

[amino(thiophen-3-yl)methylidene]azanium
CID 6932604
methyl thiophene-3-carboximidate
CID 15211507
N,N-dimethylthiophene-3-carboximidamide
CID 63181251
3-[methyl(thiophen-3-ylmethyl)amino]benzenecarboximidamide
CID 62969953
benzenecarboximidamide;sulfane
CID 172701796
4-(hydroxymethyl)benzenecarboximidamide;hydrochloride
CID 15597453
borinine-4-carboximidamide
CID 141334946
benzenecarboximidamide;hydron;chloride
CID 66824376
5-(aminomethyl)thiophene-3-carboximidamide;dihydrochloride
CID 22716030
2-methyl-6-[methyl(thiophen-3-ylmethyl)amino]pyridine-4-carboximidamide
CID 114768881
acetic acid;2-thiophen-3-ylethanimidamide
CID 122460781
4-ethylbenzenecarboximidamide;hydrochloride
CID 15564107

Frequently Asked Questions

What is the IUPAC name of thiophene-3-carboximidamide;hydrochloride?
The IUPAC name of thiophene-3-carboximidamide;hydrochloride (CID 2779692) is thiophene-3-carboximidamide;hydrochloride.
What is the SMILES notation for thiophene-3-carboximidamide;hydrochloride?
The canonical SMILES for thiophene-3-carboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1ccsc1.
What is the InChIKey of thiophene-3-carboximidamide;hydrochloride?
The InChIKey is CAUZIIYPBLBRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2S.ClH/c6-5(7)4-1-2-8-3-4;/h1-3H,(H3,6,7);1H.
What are the key properties of thiophene-3-carboximidamide;hydrochloride?
thiophene-3-carboximidamide;hydrochloride has a molecular weight of 162.65 g/mol, XLogP of 1.45, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for thiophene-3-carboximidamide;hydrochloride is sourced from PubChem (CID 2779692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).