N'-[3-[3-[[amino(thiophen-2-yl)methylidene]amino]phenyl]phenyl]thiophene-2-carboximidamide

C22H18N4S2 — CID 72725794

IUPACN'-[3-[3-[[amino(thiophen-2-yl)methylidene]amino]phenyl]phenyl]thiophene-2-carboximidamide
SMILESN/C(=N\c1cccc(-c2cccc(/N=C(\N)c3cccs3)c2)c1)c1cccs1
InChIInChI=1S/C22H18N4S2/c23-21(19-9-3-11-27-19)25-17-7-1-5-15(13-17)16-6-2-8-18(14-16)26-22(24)20-10-4-12-28-20/h1-14H,(H2,23,25)(H2,24,26)
InChIKeyACHJMDNIBGAZJH-UHFFFAOYSA-N
MW402.55 g/mol
LogP5.55
Rot. Bonds5

About N'-[3-[3-[[amino(thiophen-2-yl)methylidene]amino]phenyl]phenyl]thiophene-2-carboximidamide

N'-[3-[3-[[amino(thiophen-2-yl)methylidene]amino]phenyl]phenyl]thiophene-2-carboximidamide (PubChem CID 72725794) has the molecular formula C22H18N4S2 and a molecular weight of 402.55 g/mol. Its IUPAC name is N'-[3-[3-[[amino(thiophen-2-yl)methylidene]amino]phenyl]phenyl]thiophene-2-carboximidamide.

Molecular Properties

Compound NameN'-[3-[3-[[amino(thiophen-2-yl)methylidene]amino]phenyl]phenyl]thiophene-2-carboximidamide
PubChem CID72725794
Molecular FormulaC22H18N4S2
Molecular Weight402.55 g/mol
Exact Mass402.10
IUPAC NameN'-[3-[3-[[amino(thiophen-2-yl)methylidene]amino]phenyl]phenyl]thiophene-2-carboximidamide
SMILESN/C(=N\c1cccc(-c2cccc(/N=C(\N)c3cccs3)c2)c1)c1cccs1
InChIInChI=1S/C22H18N4S2/c23-21(19-9-3-11-27-19)25-17-7-1-5-15(13-17)16-6-2-8-18(14-16)26-22(24)20-10-4-12-28-20/h1-14H,(H2,23,25)(H2,24,26)
InChIKeyACHJMDNIBGAZJH-UHFFFAOYSA-N
XLogP5.55
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.55
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-[3-[3-[[amino(thiophen-2-yl)methylidene]amino]phenyl]phenyl]thiophene-2-carboximidamide 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'-(Ethane-1,2-Diyldibenzene-3,1-Diyl)dithiophene-2-Carboximidamide
CID 72725795
N-(3-{2-[(3-{[(Z)-Imino(Thiophen-2-Yl)methyl]amino}benzyl)amino]ethyl}phenyl)thiophene-2-Carboximidamide
CID 72725797
N-(4-{2-[(3-{[(E)-Imino(Thiophen-2-Yl)methyl]amino}benzyl)amino]ethyl}phenyl)thiophene-2-Carboximidamide
CID 72725798
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-(4-{2-[ethyl(3-{[(E)-Imino(Thiophen-2-Yl)methyl]amino}benzyl)amino]ethyl}phenyl)thiophene-2-Carboximidamide
CID 72725799
1-[4-[5-(4-Guanidinophenyl)-2-thienyl]phenyl]guanidine
CID 501319
N-[3-(aminomethyl)phenyl]thiophene-2-carboximidamide
CID 10524594
N'-[3-(aminomethyl)phenyl]thiophene-2-carboximidamide;hydrochloride
CID 45260612
N'-[3-(aminomethyl)phenyl]thiophene-2-carboximidamide;dihydrobromide
CID 45264975
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

Frequently Asked Questions

What is the IUPAC name of N'-[3-[3-[[amino(thiophen-2-yl)methylidene]amino]phenyl]phenyl]thiophene-2-carboximidamide?
The IUPAC name of N'-[3-[3-[[amino(thiophen-2-yl)methylidene]amino]phenyl]phenyl]thiophene-2-carboximidamide (CID 72725794) is N'-[3-[3-[[amino(thiophen-2-yl)methylidene]amino]phenyl]phenyl]thiophene-2-carboximidamide.
What is the SMILES notation for N'-[3-[3-[[amino(thiophen-2-yl)methylidene]amino]phenyl]phenyl]thiophene-2-carboximidamide?
The canonical SMILES for N'-[3-[3-[[amino(thiophen-2-yl)methylidene]amino]phenyl]phenyl]thiophene-2-carboximidamide is N/C(=N\c1cccc(-c2cccc(/N=C(\N)c3cccs3)c2)c1)c1cccs1.
What is the InChIKey of N'-[3-[3-[[amino(thiophen-2-yl)methylidene]amino]phenyl]phenyl]thiophene-2-carboximidamide?
The InChIKey is ACHJMDNIBGAZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4S2/c23-21(19-9-3-11-27-19)25-17-7-1-5-15(13-17)16-6-2-8-18(14-16)26-22(24)20-10-4-12-28-20/h1-14H,(H2,23,25)(H2,24,26).
What are the key properties of N'-[3-[3-[[amino(thiophen-2-yl)methylidene]amino]phenyl]phenyl]thiophene-2-carboximidamide?
N'-[3-[3-[[amino(thiophen-2-yl)methylidene]amino]phenyl]phenyl]thiophene-2-carboximidamide has a molecular weight of 402.55 g/mol, XLogP of 5.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[3-[[amino(thiophen-2-yl)methylidene]amino]phenyl]phenyl]thiophene-2-carboximidamide is sourced from PubChem (CID 72725794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).