N-[(E)-[3-[(E)-[benzenecarbonothioyl(methyl)hydrazinylidene]methyl]cyclohexyl]methylideneamino]-N-methylbenzenecarbothioamide

C24H28N4S2 — CID 24954697

IUPACN-[(E)-[3-[(E)-[benzenecarbonothioyl(methyl)hydrazinylidene]methyl]cyclohexyl]methylideneamino]-N-methylbenzenecarbothioamide
SMILESCN(/N=C/C1CCCC(/C=N/N(C)C(=S)c2ccccc2)C1)C(=S)c1ccccc1
InChIInChI=1S/C24H28N4S2/c1-27(23(29)21-12-5-3-6-13-21)25-17-19-10-9-11-20(16-19)18-26-28(2)24(30)22-14-7-4-8-15-22/h3-8,12-15,17-20H,9-11,16H2,1-2H3/b25-17+,26-18+
InChIKeyLXVSGGJUJORPTM-RPCRKUJJSA-N
MW436.65 g/mol
LogP5.38
Rot. Bonds6

About N-[(E)-[3-[(E)-[benzenecarbonothioyl(methyl)hydrazinylidene]methyl]cyclohexyl]methylideneamino]-N-methylbenzenecarbothioamide

N-[(E)-[3-[(E)-[benzenecarbonothioyl(methyl)hydrazinylidene]methyl]cyclohexyl]methylideneamino]-N-methylbenzenecarbothioamide (PubChem CID 24954697) has the molecular formula C24H28N4S2 and a molecular weight of 436.65 g/mol. Its IUPAC name is N-[(E)-[3-[(E)-[benzenecarbonothioyl(methyl)hydrazinylidene]methyl]cyclohexyl]methylideneamino]-N-methylbenzenecarbothioamide.

Molecular Properties

Compound NameN-[(E)-[3-[(E)-[benzenecarbonothioyl(methyl)hydrazinylidene]methyl]cyclohexyl]methylideneamino]-N-methylbenzenecarbothioamide
PubChem CID24954697
Molecular FormulaC24H28N4S2
Molecular Weight436.65 g/mol
Exact Mass436.18
IUPAC NameN-[(E)-[3-[(E)-[benzenecarbonothioyl(methyl)hydrazinylidene]methyl]cyclohexyl]methylideneamino]-N-methylbenzenecarbothioamide
SMILESCN(/N=C/C1CCCC(/C=N/N(C)C(=S)c2ccccc2)C1)C(=S)c1ccccc1
InChIInChI=1S/C24H28N4S2/c1-27(23(29)21-12-5-3-6-13-21)25-17-19-10-9-11-20(16-19)18-26-28(2)24(30)22-14-7-4-8-15-22/h3-8,12-15,17-20H,9-11,16H2,1-2H3/b25-17+,26-18+
InChIKeyLXVSGGJUJORPTM-RPCRKUJJSA-N
XLogP5.38
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.65
LogP ≤ 55.38
H-Bond Donors ≤ 50
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'}

Analyze N-[(E)-[3-[(E)-[benzenecarbonothioyl(methyl)hydrazinylidene]methyl]cyclohexyl]methylideneamino]-N-methylbenzenecarbothioamide 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 N-[(E)-[3-[(E)-[benzenecarbonothioyl(methyl)hydrazinylidene]methyl]cyclohexyl]methylideneamino]-N-methylbenzenecarbothioamide?
The IUPAC name of N-[(E)-[3-[(E)-[benzenecarbonothioyl(methyl)hydrazinylidene]methyl]cyclohexyl]methylideneamino]-N-methylbenzenecarbothioamide (CID 24954697) is N-[(E)-[3-[(E)-[benzenecarbonothioyl(methyl)hydrazinylidene]methyl]cyclohexyl]methylideneamino]-N-methylbenzenecarbothioamide.
What is the SMILES notation for N-[(E)-[3-[(E)-[benzenecarbonothioyl(methyl)hydrazinylidene]methyl]cyclohexyl]methylideneamino]-N-methylbenzenecarbothioamide?
The canonical SMILES for N-[(E)-[3-[(E)-[benzenecarbonothioyl(methyl)hydrazinylidene]methyl]cyclohexyl]methylideneamino]-N-methylbenzenecarbothioamide is CN(/N=C/C1CCCC(/C=N/N(C)C(=S)c2ccccc2)C1)C(=S)c1ccccc1.
What is the InChIKey of N-[(E)-[3-[(E)-[benzenecarbonothioyl(methyl)hydrazinylidene]methyl]cyclohexyl]methylideneamino]-N-methylbenzenecarbothioamide?
The InChIKey is LXVSGGJUJORPTM-RPCRKUJJSA-N. The full InChI is InChI=1S/C24H28N4S2/c1-27(23(29)21-12-5-3-6-13-21)25-17-19-10-9-11-20(16-19)18-26-28(2)24(30)22-14-7-4-8-15-22/h3-8,12-15,17-20H,9-11,16H2,1-2H3/b25-17+,26-18+.
What are the key properties of N-[(E)-[3-[(E)-[benzenecarbonothioyl(methyl)hydrazinylidene]methyl]cyclohexyl]methylideneamino]-N-methylbenzenecarbothioamide?
N-[(E)-[3-[(E)-[benzenecarbonothioyl(methyl)hydrazinylidene]methyl]cyclohexyl]methylideneamino]-N-methylbenzenecarbothioamide has a molecular weight of 436.65 g/mol, XLogP of 5.38, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[3-[(E)-[benzenecarbonothioyl(methyl)hydrazinylidene]methyl]cyclohexyl]methylideneamino]-N-methylbenzenecarbothioamide is sourced from PubChem (CID 24954697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).