4-chloro-N-[2-[[ethylamino-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methylidene]amino]ethyl]benzamide

C18H24ClN5OS — CID 109421326

IUPAC4-chloro-N-[2-[[ethylamino-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methylidene]amino]ethyl]benzamide
SMILESCCN/C(=N\CCNC(=O)c1ccc(Cl)cc1)N(C)Cc1csc(C)n1
InChIInChI=1S/C18H24ClN5OS/c1-4-20-18(24(3)11-16-12-26-13(2)23-16)22-10-9-21-17(25)14-5-7-15(19)8-6-14/h5-8,12H,4,9-11H2,1-3H3,(H,20,22)(H,21,25)
InChIKeyGXFXQWHSGKYXRK-UHFFFAOYSA-N
MW393.94 g/mol
LogP2.93
Rot. Bonds7

About 4-chloro-N-[2-[[ethylamino-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methylidene]amino]ethyl]benzamide

4-chloro-N-[2-[[ethylamino-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methylidene]amino]ethyl]benzamide (PubChem CID 109421326) has the molecular formula C18H24ClN5OS and a molecular weight of 393.94 g/mol. Its IUPAC name is 4-chloro-N-[2-[[ethylamino-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methylidene]amino]ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-[[ethylamino-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methylidene]amino]ethyl]benzamide
PubChem CID109421326
Molecular FormulaC18H24ClN5OS
Molecular Weight393.94 g/mol
Exact Mass393.14
IUPAC Name4-chloro-N-[2-[[ethylamino-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methylidene]amino]ethyl]benzamide
SMILESCCN/C(=N\CCNC(=O)c1ccc(Cl)cc1)N(C)Cc1csc(C)n1
InChIInChI=1S/C18H24ClN5OS/c1-4-20-18(24(3)11-16-12-26-13(2)23-16)22-10-9-21-17(25)14-5-7-15(19)8-6-14/h5-8,12H,4,9-11H2,1-3H3,(H,20,22)(H,21,25)
InChIKeyGXFXQWHSGKYXRK-UHFFFAOYSA-N
XLogP2.93
TPSA69.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.94
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 4-chloro-N-[2-[[ethylamino-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methylidene]amino]ethyl]benzamide 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

3-ethyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propylguanidine
CID 109423768
3-ethyl-1-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide
CID 109423121
2-cyclopentyl-N-[2-[[ethylamino-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methylidene]amino]ethyl]acetamide;hydroiodide
CID 109421271
N,N-diethyl-4-[[[ethylamino-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methylidene]amino]methyl]benzamide;hydroiodide
CID 109425385
3-ethyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(2-thiophen-2-ylethyl)guanidine
CID 109423172
N-(2-chloro-4-methylphenyl)-3-[[ethylamino-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methylidene]amino]propanamide
CID 109423728
3-[2-[[ethylamino-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methylidene]amino]ethyl]-N-methylbenzamide;hydroiodide
CID 109424703
2-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide
CID 109425223
tert-butyl 2-[[ethylamino-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methylidene]amino]acetate
CID 109425194
3-ethyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(3-oxo-3-pyrrolidin-1-ylpropyl)guanidine
CID 109423198
3-ethyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-[(E)-pent-3-enyl]guanidine;hydroiodide
CID 109423057
3-[[ethylamino-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide
CID 109421182

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[[ethylamino-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methylidene]amino]ethyl]benzamide?
The IUPAC name of 4-chloro-N-[2-[[ethylamino-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methylidene]amino]ethyl]benzamide (CID 109421326) is 4-chloro-N-[2-[[ethylamino-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methylidene]amino]ethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-[[ethylamino-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methylidene]amino]ethyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-[[ethylamino-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methylidene]amino]ethyl]benzamide is CCN/C(=N\CCNC(=O)c1ccc(Cl)cc1)N(C)Cc1csc(C)n1.
What is the InChIKey of 4-chloro-N-[2-[[ethylamino-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methylidene]amino]ethyl]benzamide?
The InChIKey is GXFXQWHSGKYXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN5OS/c1-4-20-18(24(3)11-16-12-26-13(2)23-16)22-10-9-21-17(25)14-5-7-15(19)8-6-14/h5-8,12H,4,9-11H2,1-3H3,(H,20,22)(H,21,25).
What are the key properties of 4-chloro-N-[2-[[ethylamino-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methylidene]amino]ethyl]benzamide?
4-chloro-N-[2-[[ethylamino-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methylidene]amino]ethyl]benzamide has a molecular weight of 393.94 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[[ethylamino-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methylidene]amino]ethyl]benzamide is sourced from PubChem (CID 109421326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).