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

C12H13N3S — CID 10524594

IUPACN'-[3-(aminomethyl)phenyl]thiophene-2-carboximidamide
SMILESNCc1cccc(/N=C(\N)c2cccs2)c1
InChIInChI=1S/C12H13N3S/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)
InChIKeyFODVLWUSSFCSRG-UHFFFAOYSA-N
MW231.32 g/mol
LogP2.24
Rot. Bonds3

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

N'-[3-(aminomethyl)phenyl]thiophene-2-carboximidamide (PubChem CID 10524594) has the molecular formula C12H13N3S and a molecular weight of 231.32 g/mol. Its IUPAC name is N'-[3-(aminomethyl)phenyl]thiophene-2-carboximidamide.

Molecular Properties

Compound NameN'-[3-(aminomethyl)phenyl]thiophene-2-carboximidamide
PubChem CID10524594
Molecular FormulaC12H13N3S
Molecular Weight231.32 g/mol
Exact Mass231.08
IUPAC NameN'-[3-(aminomethyl)phenyl]thiophene-2-carboximidamide
SMILESNCc1cccc(/N=C(\N)c2cccs2)c1
InChIInChI=1S/C12H13N3S/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)
InChIKeyFODVLWUSSFCSRG-UHFFFAOYSA-N
XLogP2.24
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 52.24
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?
The IUPAC name of N'-[3-(aminomethyl)phenyl]thiophene-2-carboximidamide (CID 10524594) is N'-[3-(aminomethyl)phenyl]thiophene-2-carboximidamide.
What is the SMILES notation for N'-[3-(aminomethyl)phenyl]thiophene-2-carboximidamide?
The canonical SMILES for N'-[3-(aminomethyl)phenyl]thiophene-2-carboximidamide is NCc1cccc(/N=C(\N)c2cccs2)c1.
What is the InChIKey of N'-[3-(aminomethyl)phenyl]thiophene-2-carboximidamide?
The InChIKey is FODVLWUSSFCSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3S/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).
What are the key properties of N'-[3-(aminomethyl)phenyl]thiophene-2-carboximidamide?
N'-[3-(aminomethyl)phenyl]thiophene-2-carboximidamide has a molecular weight of 231.32 g/mol, XLogP of 2.24, 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 is sourced from PubChem (CID 10524594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).