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

C12H15Br2N3S — CID 45264975

IUPACN'-[3-(aminomethyl)phenyl]thiophene-2-carboximidamide;dihydrobromide
SMILESBr.Br.NCc1cccc(/N=C(\N)c2cccs2)c1
InChIInChI=1S/C12H13N3S.2BrH/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);2*1H
InChIKeyWVMFCKRNKKVVMF-UHFFFAOYSA-N
MW393.15 g/mol
LogP3.40
Rot. Bonds3

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

N'-[3-(aminomethyl)phenyl]thiophene-2-carboximidamide;dihydrobromide (PubChem CID 45264975) has the molecular formula C12H15Br2N3S and a molecular weight of 393.15 g/mol. Its IUPAC name is N'-[3-(aminomethyl)phenyl]thiophene-2-carboximidamide;dihydrobromide.

Molecular Properties

Compound NameN'-[3-(aminomethyl)phenyl]thiophene-2-carboximidamide;dihydrobromide
PubChem CID45264975
Molecular FormulaC12H15Br2N3S
Molecular Weight393.15 g/mol
Exact Mass390.94
IUPAC NameN'-[3-(aminomethyl)phenyl]thiophene-2-carboximidamide;dihydrobromide
SMILESBr.Br.NCc1cccc(/N=C(\N)c2cccs2)c1
InChIInChI=1S/C12H13N3S.2BrH/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);2*1H
InChIKeyWVMFCKRNKKVVMF-UHFFFAOYSA-N
XLogP3.40
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.15
LogP ≤ 53.40
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'}

Analyze N'-[3-(aminomethyl)phenyl]thiophene-2-carboximidamide;dihydrobromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N'-Biphenyl-3,3'-Diyldithiophene-2-Carboximidamide
CID 72725794
N,N'-(Ethane-1,2-Diyldibenzene-3,1-Diyl)dithiophene-2-Carboximidamide
CID 72725795
N-[3-({[2-(3-Fluorophenyl)ethyl]amino}methyl)phenyl]thiophene-2-Carboximidamide
CID 72725800
N-[3-({ethyl[2-(3-Fluorophenyl)ethyl]amino}methyl)phenyl]thiophene-2-Carboximidamide
CID 72725801
N-[3-(aminomethyl)phenyl]thiophene-2-carboximidamide
CID 10524594
N'-[4-(aminomethyl)phenyl]thiophene-2-carboximidamide;hydrochloride
CID 45260533
N'-[3-(aminomethyl)phenyl]thiophene-2-carboximidamide;hydrochloride
CID 45260612
N'-[4-(2-aminoethyl)phenyl]thiophene-2-carboximidamide;hydrochloride
CID 45264499
N'-[3-[[3-[[amino(thiophen-2-yl)methylidene]amino]phenyl]methyl]phenyl]thiophene-2-carboximidamide
CID 76325671
N'-[3-(cyclopentylsulfanylmethyl)phenyl]thiophene-2-carboximidamide
CID 90644565
N'-[3-(cyclopentylsulfanylmethyl)-4-fluorophenyl]thiophene-2-carboximidamide
CID 90644567
N'-[3-[[2-(3-fluorophenyl)ethylamino]methyl]phenyl]thiophene-2-carboximidamide;dihydrochloride
CID 90664518

Frequently Asked Questions

What is the IUPAC name of N'-[3-(aminomethyl)phenyl]thiophene-2-carboximidamide;dihydrobromide?
The IUPAC name of N'-[3-(aminomethyl)phenyl]thiophene-2-carboximidamide;dihydrobromide (CID 45264975) is N'-[3-(aminomethyl)phenyl]thiophene-2-carboximidamide;dihydrobromide.
What is the SMILES notation for N'-[3-(aminomethyl)phenyl]thiophene-2-carboximidamide;dihydrobromide?
The canonical SMILES for N'-[3-(aminomethyl)phenyl]thiophene-2-carboximidamide;dihydrobromide is Br.Br.NCc1cccc(/N=C(\N)c2cccs2)c1.
What is the InChIKey of N'-[3-(aminomethyl)phenyl]thiophene-2-carboximidamide;dihydrobromide?
The InChIKey is WVMFCKRNKKVVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3S.2BrH/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);2*1H.
What are the key properties of N'-[3-(aminomethyl)phenyl]thiophene-2-carboximidamide;dihydrobromide?
N'-[3-(aminomethyl)phenyl]thiophene-2-carboximidamide;dihydrobromide has a molecular weight of 393.15 g/mol, XLogP of 3.40, 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;dihydrobromide is sourced from PubChem (CID 45264975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).