2-[[ethylamino-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide

C19H28IN5OS — CID 111364696

IUPAC2-[[ethylamino-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
SMILESCCN/C(=N\CC(=O)N(C)C)NCCc1csc(-c2ccc(C)cc2)n1.I
InChIInChI=1S/C19H27N5OS.HI/c1-5-20-19(22-12-17(25)24(3)4)21-11-10-16-13-26-18(23-16)15-8-6-14(2)7-9-15;/h6-9,13H,5,10-12H2,1-4H3,(H2,20,21,22);1H
InChIKeyKSZKAUGKFXJGGR-UHFFFAOYSA-N
MW501.44 g/mol
LogP2.92
Rot. Bonds7

About 2-[[ethylamino-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide

2-[[ethylamino-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide (PubChem CID 111364696) has the molecular formula C19H28IN5OS and a molecular weight of 501.44 g/mol. Its IUPAC name is 2-[[ethylamino-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide.

Molecular Properties

Compound Name2-[[ethylamino-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
PubChem CID111364696
Molecular FormulaC19H28IN5OS
Molecular Weight501.44 g/mol
Exact Mass501.11
IUPAC Name2-[[ethylamino-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
SMILESCCN/C(=N\CC(=O)N(C)C)NCCc1csc(-c2ccc(C)cc2)n1.I
InChIInChI=1S/C19H27N5OS.HI/c1-5-20-19(22-12-17(25)24(3)4)21-11-10-16-13-26-18(23-16)15-8-6-14(2)7-9-15;/h6-9,13H,5,10-12H2,1-4H3,(H2,20,21,22);1H
InChIKeyKSZKAUGKFXJGGR-UHFFFAOYSA-N
XLogP2.92
TPSA69.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.44
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[ethylamino-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide 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

2-[[ethylamino-[2-(4-methylphenyl)ethylamino]methylidene]amino]-N,N-dimethylacetamide
CID 111601739
1,1-dimethyl-3-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]urea
CID 110317361
1-ethyl-3-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-2-(pyridin-2-ylmethyl)guanidine
CID 110970187
4-methyl-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7287432
4-(dimethylamino)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 47093407
2-[[ethylamino-[3-(4-methyl-1,3-thiazol-2-yl)propylamino]methylidene]amino]-N,N-dimethylacetamide
CID 111365377
1-ethyl-2-[(4-methylphenyl)methyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111243977
1-ethyl-3-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-2-[(4-methylphenyl)methyl]guanidine
CID 111244445
1-ethyl-3-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-2-(2-morpholin-4-ylpropyl)guanidine
CID 111021749
2-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-ethyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide
CID 111934280
2-[[ethylamino-[2-(5-methyl-1,3-thiazol-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111796881
3,4-dimethyl-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7287435

Frequently Asked Questions

What is the IUPAC name of 2-[[ethylamino-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The IUPAC name of 2-[[ethylamino-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide (CID 111364696) is 2-[[ethylamino-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide.
What is the SMILES notation for 2-[[ethylamino-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The canonical SMILES for 2-[[ethylamino-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide is CCN/C(=N\CC(=O)N(C)C)NCCc1csc(-c2ccc(C)cc2)n1.I.
What is the InChIKey of 2-[[ethylamino-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The InChIKey is KSZKAUGKFXJGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5OS.HI/c1-5-20-19(22-12-17(25)24(3)4)21-11-10-16-13-26-18(23-16)15-8-6-14(2)7-9-15;/h6-9,13H,5,10-12H2,1-4H3,(H2,20,21,22);1H.
What are the key properties of 2-[[ethylamino-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
2-[[ethylamino-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide has a molecular weight of 501.44 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethylamino-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide is sourced from PubChem (CID 111364696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).