N-ethyl-2-(2-methylphenyl)-N'-[(5-methyl-1,3-thiazol-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide

C19H27IN4OS — CID 109480415

IUPACN-ethyl-2-(2-methylphenyl)-N'-[(5-methyl-1,3-thiazol-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide
SMILESCCN/C(=N\Cc1ncc(C)s1)N1CCOC(c2ccccc2C)C1.I
InChIInChI=1S/C19H26N4OS.HI/c1-4-20-19(22-12-18-21-11-15(3)25-18)23-9-10-24-17(13-23)16-8-6-5-7-14(16)2;/h5-8,11,17H,4,9-10,12-13H2,1-3H3,(H,20,22);1H
InChIKeyIDMOFNUKNCLCBU-UHFFFAOYSA-N
MW486.42 g/mol
LogP3.92
Rot. Bonds4

About N-ethyl-2-(2-methylphenyl)-N'-[(5-methyl-1,3-thiazol-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide

N-ethyl-2-(2-methylphenyl)-N'-[(5-methyl-1,3-thiazol-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide (PubChem CID 109480415) has the molecular formula C19H27IN4OS and a molecular weight of 486.42 g/mol. Its IUPAC name is N-ethyl-2-(2-methylphenyl)-N'-[(5-methyl-1,3-thiazol-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-ethyl-2-(2-methylphenyl)-N'-[(5-methyl-1,3-thiazol-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide
PubChem CID109480415
Molecular FormulaC19H27IN4OS
Molecular Weight486.42 g/mol
Exact Mass486.10
IUPAC NameN-ethyl-2-(2-methylphenyl)-N'-[(5-methyl-1,3-thiazol-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide
SMILESCCN/C(=N\Cc1ncc(C)s1)N1CCOC(c2ccccc2C)C1.I
InChIInChI=1S/C19H26N4OS.HI/c1-4-20-19(22-12-18-21-11-15(3)25-18)23-9-10-24-17(13-23)16-8-6-5-7-14(16)2;/h5-8,11,17H,4,9-10,12-13H2,1-3H3,(H,20,22);1H
InChIKeyIDMOFNUKNCLCBU-UHFFFAOYSA-N
XLogP3.92
TPSA49.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.42
LogP ≤ 53.92
H-Bond Donors ≤ 51
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'}

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Related Compounds

N-ethyl-2-(2-methylphenyl)-N'-(thiophen-2-ylmethyl)morpholine-4-carboximidamide;hydroiodide
CID 109480595
N-ethyl-N'-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109479662
N-ethyl-2-(2-methylphenyl)-N'-[(5-sulfamoylthiophen-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 109481186
N-ethyl-2-(2-methylphenyl)-N'-[2-(6-methyl-3-pyridinyl)ethyl]morpholine-4-carboximidamide;hydroiodide
CID 109480481
N'-[[2-(dimethylamino)-4-pyridinyl]methyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109479444
N-ethyl-N'-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109480432
N-ethyl-N'-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109479780
N-ethyl-N'-(3-hydroxy-2,2-dimethylpropyl)-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109480503
N-ethyl-2-(2-methylphenyl)-N'-[(1-methylpiperidin-4-yl)methyl]morpholine-4-carboximidamide
CID 109481121
N'-(2-ethoxyethyl)-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109479664
N-ethyl-2-(2-methylphenyl)-N'-[2-(1-methylpiperidin-4-yl)ethyl]morpholine-4-carboximidamide;hydroiodide
CID 109479828
N-ethyl-2-(2-methylphenyl)-N'-(2-pyridin-2-ylethyl)morpholine-4-carboximidamide
CID 109479902

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-methylphenyl)-N'-[(5-methyl-1,3-thiazol-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N-ethyl-2-(2-methylphenyl)-N'-[(5-methyl-1,3-thiazol-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide (CID 109480415) is N-ethyl-2-(2-methylphenyl)-N'-[(5-methyl-1,3-thiazol-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N-ethyl-2-(2-methylphenyl)-N'-[(5-methyl-1,3-thiazol-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N-ethyl-2-(2-methylphenyl)-N'-[(5-methyl-1,3-thiazol-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide is CCN/C(=N\Cc1ncc(C)s1)N1CCOC(c2ccccc2C)C1.I.
What is the InChIKey of N-ethyl-2-(2-methylphenyl)-N'-[(5-methyl-1,3-thiazol-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide?
The InChIKey is IDMOFNUKNCLCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4OS.HI/c1-4-20-19(22-12-18-21-11-15(3)25-18)23-9-10-24-17(13-23)16-8-6-5-7-14(16)2;/h5-8,11,17H,4,9-10,12-13H2,1-3H3,(H,20,22);1H.
What are the key properties of N-ethyl-2-(2-methylphenyl)-N'-[(5-methyl-1,3-thiazol-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide?
N-ethyl-2-(2-methylphenyl)-N'-[(5-methyl-1,3-thiazol-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide has a molecular weight of 486.42 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-methylphenyl)-N'-[(5-methyl-1,3-thiazol-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 109480415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).