(2E)-2-(carbamothioylhydrazinylidene)-2-(2,3-dichlorophenyl)acetamide

C9H8Cl2N4OS — CID 6433065

IUPAC(2E)-2-(carbamothioylhydrazinylidene)-2-(2,3-dichlorophenyl)acetamide
SMILESNC(=O)/C(=N/NC(N)=S)c1cccc(Cl)c1Cl
InChIInChI=1S/C9H8Cl2N4OS/c10-5-3-1-2-4(6(5)11)7(8(12)16)14-15-9(13)17/h1-3H,(H2,12,16)(H3,13,15,17)/b14-7+
InChIKeyMADAFGZOISGUPF-VGOFMYFVSA-N
MW291.16 g/mol
LogP1.02
Rot. Bonds3

About (2E)-2-(carbamothioylhydrazinylidene)-2-(2,3-dichlorophenyl)acetamide

(2E)-2-(carbamothioylhydrazinylidene)-2-(2,3-dichlorophenyl)acetamide (PubChem CID 6433065) has the molecular formula C9H8Cl2N4OS and a molecular weight of 291.16 g/mol. Its IUPAC name is (2E)-2-(carbamothioylhydrazinylidene)-2-(2,3-dichlorophenyl)acetamide.

Molecular Properties

Compound Name(2E)-2-(carbamothioylhydrazinylidene)-2-(2,3-dichlorophenyl)acetamide
PubChem CID6433065
Molecular FormulaC9H8Cl2N4OS
Molecular Weight291.16 g/mol
Exact Mass289.98
IUPAC Name(2E)-2-(carbamothioylhydrazinylidene)-2-(2,3-dichlorophenyl)acetamide
SMILESNC(=O)/C(=N/NC(N)=S)c1cccc(Cl)c1Cl
InChIInChI=1S/C9H8Cl2N4OS/c10-5-3-1-2-4(6(5)11)7(8(12)16)14-15-9(13)17/h1-3H,(H2,12,16)(H3,13,15,17)/b14-7+
InChIKeyMADAFGZOISGUPF-VGOFMYFVSA-N
XLogP1.02
TPSA93.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.16
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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'}

Analyze (2E)-2-(carbamothioylhydrazinylidene)-2-(2,3-dichlorophenyl)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(carbamothioylhydrazinylidene)-2-(2,3-dichlorophenyl)acetamide?
The IUPAC name of (2E)-2-(carbamothioylhydrazinylidene)-2-(2,3-dichlorophenyl)acetamide (CID 6433065) is (2E)-2-(carbamothioylhydrazinylidene)-2-(2,3-dichlorophenyl)acetamide.
What is the SMILES notation for (2E)-2-(carbamothioylhydrazinylidene)-2-(2,3-dichlorophenyl)acetamide?
The canonical SMILES for (2E)-2-(carbamothioylhydrazinylidene)-2-(2,3-dichlorophenyl)acetamide is NC(=O)/C(=N/NC(N)=S)c1cccc(Cl)c1Cl.
What is the InChIKey of (2E)-2-(carbamothioylhydrazinylidene)-2-(2,3-dichlorophenyl)acetamide?
The InChIKey is MADAFGZOISGUPF-VGOFMYFVSA-N. The full InChI is InChI=1S/C9H8Cl2N4OS/c10-5-3-1-2-4(6(5)11)7(8(12)16)14-15-9(13)17/h1-3H,(H2,12,16)(H3,13,15,17)/b14-7+.
What are the key properties of (2E)-2-(carbamothioylhydrazinylidene)-2-(2,3-dichlorophenyl)acetamide?
(2E)-2-(carbamothioylhydrazinylidene)-2-(2,3-dichlorophenyl)acetamide has a molecular weight of 291.16 g/mol, XLogP of 1.02, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(carbamothioylhydrazinylidene)-2-(2,3-dichlorophenyl)acetamide is sourced from PubChem (CID 6433065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).