(1E)-1-[amino-(2-cyclohexylidenehydrazinyl)methylidene]-3-(4-chlorophenyl)thiourea

C14H18ClN5S — CID 46933857

IUPAC(1E)-1-[amino-(2-cyclohexylidenehydrazinyl)methylidene]-3-(4-chlorophenyl)thiourea
SMILESN/C(=N\C(=S)Nc1ccc(Cl)cc1)NN=C1CCCCC1
InChIInChI=1S/C14H18ClN5S/c15-10-6-8-11(9-7-10)17-14(21)18-13(16)20-19-12-4-2-1-3-5-12/h6-9H,1-5H2,(H4,16,17,18,20,21)
InChIKeyZFWSGPKNIZWBKM-UHFFFAOYSA-N
MW323.85 g/mol
LogP3.26
Rot. Bonds2

About (1E)-1-[amino-(2-cyclohexylidenehydrazinyl)methylidene]-3-(4-chlorophenyl)thiourea

(1E)-1-[amino-(2-cyclohexylidenehydrazinyl)methylidene]-3-(4-chlorophenyl)thiourea (PubChem CID 46933857) has the molecular formula C14H18ClN5S and a molecular weight of 323.85 g/mol. Its IUPAC name is (1E)-1-[amino-(2-cyclohexylidenehydrazinyl)methylidene]-3-(4-chlorophenyl)thiourea.

Molecular Properties

Compound Name(1E)-1-[amino-(2-cyclohexylidenehydrazinyl)methylidene]-3-(4-chlorophenyl)thiourea
PubChem CID46933857
Molecular FormulaC14H18ClN5S
Molecular Weight323.85 g/mol
Exact Mass323.10
IUPAC Name(1E)-1-[amino-(2-cyclohexylidenehydrazinyl)methylidene]-3-(4-chlorophenyl)thiourea
SMILESN/C(=N\C(=S)Nc1ccc(Cl)cc1)NN=C1CCCCC1
InChIInChI=1S/C14H18ClN5S/c15-10-6-8-11(9-7-10)17-14(21)18-13(16)20-19-12-4-2-1-3-5-12/h6-9H,1-5H2,(H4,16,17,18,20,21)
InChIKeyZFWSGPKNIZWBKM-UHFFFAOYSA-N
XLogP3.26
TPSA74.80 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.85
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze (1E)-1-[amino-(2-cyclohexylidenehydrazinyl)methylidene]-3-(4-chlorophenyl)thiourea 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 (1E)-1-[amino-(2-cyclohexylidenehydrazinyl)methylidene]-3-(4-chlorophenyl)thiourea?
The IUPAC name of (1E)-1-[amino-(2-cyclohexylidenehydrazinyl)methylidene]-3-(4-chlorophenyl)thiourea (CID 46933857) is (1E)-1-[amino-(2-cyclohexylidenehydrazinyl)methylidene]-3-(4-chlorophenyl)thiourea.
What is the SMILES notation for (1E)-1-[amino-(2-cyclohexylidenehydrazinyl)methylidene]-3-(4-chlorophenyl)thiourea?
The canonical SMILES for (1E)-1-[amino-(2-cyclohexylidenehydrazinyl)methylidene]-3-(4-chlorophenyl)thiourea is N/C(=N\C(=S)Nc1ccc(Cl)cc1)NN=C1CCCCC1.
What is the InChIKey of (1E)-1-[amino-(2-cyclohexylidenehydrazinyl)methylidene]-3-(4-chlorophenyl)thiourea?
The InChIKey is ZFWSGPKNIZWBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5S/c15-10-6-8-11(9-7-10)17-14(21)18-13(16)20-19-12-4-2-1-3-5-12/h6-9H,1-5H2,(H4,16,17,18,20,21).
What are the key properties of (1E)-1-[amino-(2-cyclohexylidenehydrazinyl)methylidene]-3-(4-chlorophenyl)thiourea?
(1E)-1-[amino-(2-cyclohexylidenehydrazinyl)methylidene]-3-(4-chlorophenyl)thiourea has a molecular weight of 323.85 g/mol, XLogP of 3.26, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-[amino-(2-cyclohexylidenehydrazinyl)methylidene]-3-(4-chlorophenyl)thiourea is sourced from PubChem (CID 46933857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).