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

C20H28N4OS — CID 109481603

IUPACN-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide
SMILESCCc1cnc(CCN/C(=N\C)N2CCOC(c3ccccc3C)C2)s1
InChIInChI=1S/C20H28N4OS/c1-4-16-13-23-19(26-16)9-10-22-20(21-3)24-11-12-25-18(14-24)17-8-6-5-7-15(17)2/h5-8,13,18H,4,9-12,14H2,1-3H3,(H,21,22)
InChIKeyIXLKGXRVBMUXKH-UHFFFAOYSA-N
MW372.54 g/mol
LogP3.21
Rot. Bonds5

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

N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide (PubChem CID 109481603) has the molecular formula C20H28N4OS and a molecular weight of 372.54 g/mol. Its IUPAC name is N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide.

Molecular Properties

Compound NameN-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide
PubChem CID109481603
Molecular FormulaC20H28N4OS
Molecular Weight372.54 g/mol
Exact Mass372.20
IUPAC NameN-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide
SMILESCCc1cnc(CCN/C(=N\C)N2CCOC(c3ccccc3C)C2)s1
InChIInChI=1S/C20H28N4OS/c1-4-16-13-23-19(26-16)9-10-22-20(21-3)24-11-12-25-18(14-24)17-8-6-5-7-15(17)2/h5-8,13,18H,4,9-12,14H2,1-3H3,(H,21,22)
InChIKeyIXLKGXRVBMUXKH-UHFFFAOYSA-N
XLogP3.21
TPSA49.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.54
LogP ≤ 53.21
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'}

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Related Compounds

N'-methyl-2-(2-methylphenyl)-N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 109481075
N'-methyl-N-(3-methylbutyl)-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109479895
N-(3-fluoropropyl)-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109481667
N'-methyl-2-(2-methylphenyl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]morpholine-4-carboximidamide;hydroiodide
CID 109479968
N-[2-(2-butoxyethoxy)ethyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109480418
N-[4-(diethylamino)butyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109480236
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109480193
N-ethyl-2-(2-methylphenyl)-N'-[(5-methyl-1,3-thiazol-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 109480415
N-[2-(1-benzylimidazol-2-yl)ethyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109481307
N'-methyl-2-(2-methylphenyl)-N-(3-pyrazol-1-ylpropyl)morpholine-4-carboximidamide;hydroiodide
CID 109480998
N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-N',3,5-trimethylpiperidine-1-carboximidamide
CID 111511006
N'-methyl-2-(2-methylphenyl)-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]morpholine-4-carboximidamide;hydroiodide
CID 109480103

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide?
The IUPAC name of N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide (CID 109481603) is N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide.
What is the SMILES notation for N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide?
The canonical SMILES for N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide is CCc1cnc(CCN/C(=N\C)N2CCOC(c3ccccc3C)C2)s1.
What is the InChIKey of N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide?
The InChIKey is IXLKGXRVBMUXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4OS/c1-4-16-13-23-19(26-16)9-10-22-20(21-3)24-11-12-25-18(14-24)17-8-6-5-7-15(17)2/h5-8,13,18H,4,9-12,14H2,1-3H3,(H,21,22).
What are the key properties of N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide?
N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide has a molecular weight of 372.54 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide is sourced from PubChem (CID 109481603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).