N'-[3-(aminomethyl)phenyl]thiophene-2-carboximidamide;hydrochloride

C12H14ClN3S — CID 45260612

IUPACN'-[3-(aminomethyl)phenyl]thiophene-2-carboximidamide;hydrochloride
SMILESCl.NCc1cccc(/N=C(\N)c2cccs2)c1
InChIInChI=1S/C12H13N3S.ClH/c13-8-9-3-1-4-10(7-9)15-12(14)11-5-2-6-16-11;/h1-7H,8,13H2,(H2,14,15);1H
InChIKeyKTSFIQLTEMMLGQ-UHFFFAOYSA-N
MW267.79 g/mol
LogP2.67
Rot. Bonds3

About N'-[3-(aminomethyl)phenyl]thiophene-2-carboximidamide;hydrochloride

N'-[3-(aminomethyl)phenyl]thiophene-2-carboximidamide;hydrochloride (PubChem CID 45260612) has the molecular formula C12H14ClN3S and a molecular weight of 267.79 g/mol. Its IUPAC name is N'-[3-(aminomethyl)phenyl]thiophene-2-carboximidamide;hydrochloride.

Molecular Properties

Compound NameN'-[3-(aminomethyl)phenyl]thiophene-2-carboximidamide;hydrochloride
PubChem CID45260612
Molecular FormulaC12H14ClN3S
Molecular Weight267.79 g/mol
Exact Mass267.06
IUPAC NameN'-[3-(aminomethyl)phenyl]thiophene-2-carboximidamide;hydrochloride
SMILESCl.NCc1cccc(/N=C(\N)c2cccs2)c1
InChIInChI=1S/C12H13N3S.ClH/c13-8-9-3-1-4-10(7-9)15-12(14)11-5-2-6-16-11;/h1-7H,8,13H2,(H2,14,15);1H
InChIKeyKTSFIQLTEMMLGQ-UHFFFAOYSA-N
XLogP2.67
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.79
LogP ≤ 52.67
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of N'-[3-(aminomethyl)phenyl]thiophene-2-carboximidamide;hydrochloride?
The IUPAC name of N'-[3-(aminomethyl)phenyl]thiophene-2-carboximidamide;hydrochloride (CID 45260612) is N'-[3-(aminomethyl)phenyl]thiophene-2-carboximidamide;hydrochloride.
What is the SMILES notation for N'-[3-(aminomethyl)phenyl]thiophene-2-carboximidamide;hydrochloride?
The canonical SMILES for N'-[3-(aminomethyl)phenyl]thiophene-2-carboximidamide;hydrochloride is Cl.NCc1cccc(/N=C(\N)c2cccs2)c1.
What is the InChIKey of N'-[3-(aminomethyl)phenyl]thiophene-2-carboximidamide;hydrochloride?
The InChIKey is KTSFIQLTEMMLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3S.ClH/c13-8-9-3-1-4-10(7-9)15-12(14)11-5-2-6-16-11;/h1-7H,8,13H2,(H2,14,15);1H.
What are the key properties of N'-[3-(aminomethyl)phenyl]thiophene-2-carboximidamide;hydrochloride?
N'-[3-(aminomethyl)phenyl]thiophene-2-carboximidamide;hydrochloride has a molecular weight of 267.79 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(aminomethyl)phenyl]thiophene-2-carboximidamide;hydrochloride is sourced from PubChem (CID 45260612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).