N'-[(Z)-1-[4-(diethylamino)phenyl]-2-sulfanylethenyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]methanimidamide

C24H33N5S — CID 142265971

IUPACN'-[(Z)-1-[4-(diethylamino)phenyl]-2-sulfanylethenyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]methanimidamide
SMILESCCN(CC)c1ccc(C(=C/S)/N=C/Nc2ccc(N3CCN(C)CC3)cc2)cc1
InChIInChI=1S/C24H33N5S/c1-4-28(5-2)22-10-6-20(7-11-22)24(18-30)26-19-25-21-8-12-23(13-9-21)29-16-14-27(3)15-17-29/h6-13,18-19,30H,4-5,14-17H2,1-3H3,(H,25,26)/b24-18-
InChIKeyKYMVOPZXKTVETG-MOHJPFBDSA-N
MW423.63 g/mol
LogP4.65
Rot. Bonds8

About N'-[(Z)-1-[4-(diethylamino)phenyl]-2-sulfanylethenyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]methanimidamide

N'-[(Z)-1-[4-(diethylamino)phenyl]-2-sulfanylethenyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]methanimidamide (PubChem CID 142265971) has the molecular formula C24H33N5S and a molecular weight of 423.63 g/mol. Its IUPAC name is N'-[(Z)-1-[4-(diethylamino)phenyl]-2-sulfanylethenyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]methanimidamide.

Molecular Properties

Compound NameN'-[(Z)-1-[4-(diethylamino)phenyl]-2-sulfanylethenyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]methanimidamide
PubChem CID142265971
Molecular FormulaC24H33N5S
Molecular Weight423.63 g/mol
Exact Mass423.25
IUPAC NameN'-[(Z)-1-[4-(diethylamino)phenyl]-2-sulfanylethenyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]methanimidamide
SMILESCCN(CC)c1ccc(C(=C/S)/N=C/Nc2ccc(N3CCN(C)CC3)cc2)cc1
InChIInChI=1S/C24H33N5S/c1-4-28(5-2)22-10-6-20(7-11-22)24(18-30)26-19-25-21-8-12-23(13-9-21)29-16-14-27(3)15-17-29/h6-13,18-19,30H,4-5,14-17H2,1-3H3,(H,25,26)/b24-18-
InChIKeyKYMVOPZXKTVETG-MOHJPFBDSA-N
XLogP4.65
TPSA34.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.63
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze N'-[(Z)-1-[4-(diethylamino)phenyl]-2-sulfanylethenyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]methanimidamide 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'-[(Z)-1-[4-(diethylamino)phenyl]-2-sulfanylethenyl]-N-[4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]phenyl]methanimidamide
CID 142265958
N-(1,3-benzodioxol-5-yl)-N'-[(Z)-1-(4-pyrrolidin-1-ylphenyl)-2-sulfanylethenyl]methanimidamide
CID 142266117
[4-(diethylamino)phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 9159073
2-(N-ethyl-3-methylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 109010683
4-(diethylamino)-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]benzamide
CID 7929088
N-[4-(diethylamino)phenyl]-2-(4-morpholin-4-ylphenyl)acetamide
CID 110424765
3-[4-(4-methylpiperazin-1-yl)-N-prop-2-enylanilino]propanoic acid
CID 82317590
4-N-[4-(4-methylpiperazin-1-yl)phenyl]-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043983
1-ethyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-1-phenylurea
CID 108991540
[4-[4-(diethylamino)phenyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 113078833
N,N-diethyl-4-[2-[1-methyl-7-(4-methylpiperazin-1-yl)-2H-quinolin-2-yl]ethenyl]aniline
CID 175696795
1-(4-acetylphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 108992269

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-1-[4-(diethylamino)phenyl]-2-sulfanylethenyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]methanimidamide?
The IUPAC name of N'-[(Z)-1-[4-(diethylamino)phenyl]-2-sulfanylethenyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]methanimidamide (CID 142265971) is N'-[(Z)-1-[4-(diethylamino)phenyl]-2-sulfanylethenyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]methanimidamide.
What is the SMILES notation for N'-[(Z)-1-[4-(diethylamino)phenyl]-2-sulfanylethenyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]methanimidamide?
The canonical SMILES for N'-[(Z)-1-[4-(diethylamino)phenyl]-2-sulfanylethenyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]methanimidamide is CCN(CC)c1ccc(C(=C/S)/N=C/Nc2ccc(N3CCN(C)CC3)cc2)cc1.
What is the InChIKey of N'-[(Z)-1-[4-(diethylamino)phenyl]-2-sulfanylethenyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]methanimidamide?
The InChIKey is KYMVOPZXKTVETG-MOHJPFBDSA-N. The full InChI is InChI=1S/C24H33N5S/c1-4-28(5-2)22-10-6-20(7-11-22)24(18-30)26-19-25-21-8-12-23(13-9-21)29-16-14-27(3)15-17-29/h6-13,18-19,30H,4-5,14-17H2,1-3H3,(H,25,26)/b24-18-.
What are the key properties of N'-[(Z)-1-[4-(diethylamino)phenyl]-2-sulfanylethenyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]methanimidamide?
N'-[(Z)-1-[4-(diethylamino)phenyl]-2-sulfanylethenyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]methanimidamide has a molecular weight of 423.63 g/mol, XLogP of 4.65, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-1-[4-(diethylamino)phenyl]-2-sulfanylethenyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]methanimidamide is sourced from PubChem (CID 142265971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).