N'-[3-(2-anilinoethyl)phenyl]thiophene-2-carboximidamide;dihydrochloride

C19H21Cl2N3S — CID 67795805

IUPACN'-[3-(2-anilinoethyl)phenyl]thiophene-2-carboximidamide;dihydrochloride
SMILESCl.Cl.N/C(=N\c1cccc(CCNc2ccccc2)c1)c1cccs1
InChIInChI=1S/C19H19N3S.2ClH/c20-19(18-10-5-13-23-18)22-17-9-4-6-15(14-17)11-12-21-16-7-2-1-3-8-16;;/h1-10,13-14,21H,11-12H2,(H2,20,22);2*1H
InChIKeyRHOMDJJRQPZETM-UHFFFAOYSA-N
MW394.37 g/mol
LogP5.28
Rot. Bonds6

About N'-[3-(2-anilinoethyl)phenyl]thiophene-2-carboximidamide;dihydrochloride

N'-[3-(2-anilinoethyl)phenyl]thiophene-2-carboximidamide;dihydrochloride (PubChem CID 67795805) has the molecular formula C19H21Cl2N3S and a molecular weight of 394.37 g/mol. Its IUPAC name is N'-[3-(2-anilinoethyl)phenyl]thiophene-2-carboximidamide;dihydrochloride.

Molecular Properties

Compound NameN'-[3-(2-anilinoethyl)phenyl]thiophene-2-carboximidamide;dihydrochloride
PubChem CID67795805
Molecular FormulaC19H21Cl2N3S
Molecular Weight394.37 g/mol
Exact Mass393.08
IUPAC NameN'-[3-(2-anilinoethyl)phenyl]thiophene-2-carboximidamide;dihydrochloride
SMILESCl.Cl.N/C(=N\c1cccc(CCNc2ccccc2)c1)c1cccs1
InChIInChI=1S/C19H19N3S.2ClH/c20-19(18-10-5-13-23-18)22-17-9-4-6-15(14-17)11-12-21-16-7-2-1-3-8-16;;/h1-10,13-14,21H,11-12H2,(H2,20,22);2*1H
InChIKeyRHOMDJJRQPZETM-UHFFFAOYSA-N
XLogP5.28
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.37
LogP ≤ 55.28
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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Related Compounds

N'-[3-(aminomethyl)phenyl]thiophene-2-carboximidamide;hydrochloride
CID 45260612
N'-[4-[4-(4-anilinoanilino)butyl]phenyl]thiophene-2-carboximidamide;hydrochloride
CID 22646421
N'-[4-[4-(4-anilinoanilino)butyl]phenyl]thiophene-2-carboximidamide
CID 22646381
N'-[4-[2-[2-(3-chlorophenyl)ethylamino]ethyl]phenyl]thiophene-2-carboximidamide
CID 71718237
N'-[3-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]thiophene-2-carboximidamide;dihydrochloride
CID 70141681
1-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]-3-phenylurea
CID 18976281
N'-[3-[[3-(3,5-ditert-butyl-4-hydroxyphenyl)propylamino]methyl]phenyl]thiophene-2-carboximidamide
CID 10390299
N'-[4-[2-(pyrimidin-2-ylamino)ethyl]phenyl]thiophene-2-carboximidamide
CID 18976244
N-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]benzamide
CID 19353828
N'-[3-[[[4-hydroxy-3,5-di(propan-2-yl)phenyl]methylamino]methyl]phenyl]thiophene-2-carboximidamide
CID 22646267
4-[4-[2-[3-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]phenyl]sulfonyl-3-phenylbutanoic acid
CID 10218164
N'-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]thiophene-2-carboximidamide
CID 54405425

Frequently Asked Questions

What is the IUPAC name of N'-[3-(2-anilinoethyl)phenyl]thiophene-2-carboximidamide;dihydrochloride?
The IUPAC name of N'-[3-(2-anilinoethyl)phenyl]thiophene-2-carboximidamide;dihydrochloride (CID 67795805) is N'-[3-(2-anilinoethyl)phenyl]thiophene-2-carboximidamide;dihydrochloride.
What is the SMILES notation for N'-[3-(2-anilinoethyl)phenyl]thiophene-2-carboximidamide;dihydrochloride?
The canonical SMILES for N'-[3-(2-anilinoethyl)phenyl]thiophene-2-carboximidamide;dihydrochloride is Cl.Cl.N/C(=N\c1cccc(CCNc2ccccc2)c1)c1cccs1.
What is the InChIKey of N'-[3-(2-anilinoethyl)phenyl]thiophene-2-carboximidamide;dihydrochloride?
The InChIKey is RHOMDJJRQPZETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3S.2ClH/c20-19(18-10-5-13-23-18)22-17-9-4-6-15(14-17)11-12-21-16-7-2-1-3-8-16;;/h1-10,13-14,21H,11-12H2,(H2,20,22);2*1H.
What are the key properties of N'-[3-(2-anilinoethyl)phenyl]thiophene-2-carboximidamide;dihydrochloride?
N'-[3-(2-anilinoethyl)phenyl]thiophene-2-carboximidamide;dihydrochloride has a molecular weight of 394.37 g/mol, XLogP of 5.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(2-anilinoethyl)phenyl]thiophene-2-carboximidamide;dihydrochloride is sourced from PubChem (CID 67795805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).