(2Z)-3-amino-2-[(2,3-dichlorophenyl)hydrazinylidene]-N-phenyl-3-sulfanylidenepropanamide

C15H12Cl2N4OS — CID 6223201

IUPAC(2Z)-3-amino-2-[(2,3-dichlorophenyl)hydrazinylidene]-N-phenyl-3-sulfanylidenepropanamide
SMILESNC(=S)/C(=N\Nc1cccc(Cl)c1Cl)C(=O)Nc1ccccc1
InChIInChI=1S/C15H12Cl2N4OS/c16-10-7-4-8-11(12(10)17)20-21-13(14(18)23)15(22)19-9-5-2-1-3-6-9/h1-8,20H,(H2,18,23)(H,19,22)/b21-13+
InChIKeyFAWSGNHDGIXBFF-FYJGNVAPSA-N
MW367.26 g/mol
LogP3.69
Rot. Bonds5

About (2Z)-3-amino-2-[(2,3-dichlorophenyl)hydrazinylidene]-N-phenyl-3-sulfanylidenepropanamide

(2Z)-3-amino-2-[(2,3-dichlorophenyl)hydrazinylidene]-N-phenyl-3-sulfanylidenepropanamide (PubChem CID 6223201) has the molecular formula C15H12Cl2N4OS and a molecular weight of 367.26 g/mol. Its IUPAC name is (2Z)-3-amino-2-[(2,3-dichlorophenyl)hydrazinylidene]-N-phenyl-3-sulfanylidenepropanamide.

Molecular Properties

Compound Name(2Z)-3-amino-2-[(2,3-dichlorophenyl)hydrazinylidene]-N-phenyl-3-sulfanylidenepropanamide
PubChem CID6223201
Molecular FormulaC15H12Cl2N4OS
Molecular Weight367.26 g/mol
Exact Mass366.01
IUPAC Name(2Z)-3-amino-2-[(2,3-dichlorophenyl)hydrazinylidene]-N-phenyl-3-sulfanylidenepropanamide
SMILESNC(=S)/C(=N\Nc1cccc(Cl)c1Cl)C(=O)Nc1ccccc1
InChIInChI=1S/C15H12Cl2N4OS/c16-10-7-4-8-11(12(10)17)20-21-13(14(18)23)15(22)19-9-5-2-1-3-6-9/h1-8,20H,(H2,18,23)(H,19,22)/b21-13+
InChIKeyFAWSGNHDGIXBFF-FYJGNVAPSA-N
XLogP3.69
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.26
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(2Z)-2-[(2,3-dichlorophenyl)hydrazinylidene]-3-(4-methylpiperazin-1-yl)-3-oxopropanethioamide
CID 6223209
2-(2-chlorophenyl)-2-oxo-N-phenylacetamide
CID 123578791
(2Z)-2-[(3-chloro-2-methylphenyl)hydrazinylidene]-3-oxo-3-pyrrolidin-1-ylpropanethioamide
CID 6223114
(2Z)-2-[[4-[4-[(2Z)-2-(1-anilino-1,3-dioxobutan-2-ylidene)hydrazinyl]-3-chlorophenyl]-2-chlorophenyl]hydrazinylidene]-3-oxo-N-phenylbutanamide;methanesulfonate
CID 172937867
2-[(2,3-dichlorophenyl)hydrazinylidene]-N,N'-bis-(4-methylphenyl)sulfonylpropanediamide
CID 4873326
2-[2-[(2-anilino-2-oxoethanethioyl)amino]anilino]-N-phenyl-2-sulfanylideneacetamide
CID 44665432
2,3-dichloro-N-phenylbenzamide
CID 7732866
1-(2-chlorophenyl)-3-(2,3-dichlorophenyl)urea
CID 5174981
N'-(3-acetylphenyl)-N-(2,3-dichlorophenyl)oxamide
CID 108500714
phenylurea;thiourea
CID 160770333
1-(3-chloro-2-hydroxyphenyl)-3-phenylthiourea
CID 87654984
1-(2-benzoylphenyl)-3-(2,3-dichlorophenyl)thiourea
CID 19648807

Frequently Asked Questions

What is the IUPAC name of (2Z)-3-amino-2-[(2,3-dichlorophenyl)hydrazinylidene]-N-phenyl-3-sulfanylidenepropanamide?
The IUPAC name of (2Z)-3-amino-2-[(2,3-dichlorophenyl)hydrazinylidene]-N-phenyl-3-sulfanylidenepropanamide (CID 6223201) is (2Z)-3-amino-2-[(2,3-dichlorophenyl)hydrazinylidene]-N-phenyl-3-sulfanylidenepropanamide.
What is the SMILES notation for (2Z)-3-amino-2-[(2,3-dichlorophenyl)hydrazinylidene]-N-phenyl-3-sulfanylidenepropanamide?
The canonical SMILES for (2Z)-3-amino-2-[(2,3-dichlorophenyl)hydrazinylidene]-N-phenyl-3-sulfanylidenepropanamide is NC(=S)/C(=N\Nc1cccc(Cl)c1Cl)C(=O)Nc1ccccc1.
What is the InChIKey of (2Z)-3-amino-2-[(2,3-dichlorophenyl)hydrazinylidene]-N-phenyl-3-sulfanylidenepropanamide?
The InChIKey is FAWSGNHDGIXBFF-FYJGNVAPSA-N. The full InChI is InChI=1S/C15H12Cl2N4OS/c16-10-7-4-8-11(12(10)17)20-21-13(14(18)23)15(22)19-9-5-2-1-3-6-9/h1-8,20H,(H2,18,23)(H,19,22)/b21-13+.
What are the key properties of (2Z)-3-amino-2-[(2,3-dichlorophenyl)hydrazinylidene]-N-phenyl-3-sulfanylidenepropanamide?
(2Z)-3-amino-2-[(2,3-dichlorophenyl)hydrazinylidene]-N-phenyl-3-sulfanylidenepropanamide has a molecular weight of 367.26 g/mol, XLogP of 3.69, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-amino-2-[(2,3-dichlorophenyl)hydrazinylidene]-N-phenyl-3-sulfanylidenepropanamide is sourced from PubChem (CID 6223201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).