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

C20H29IN4OS — CID 109481644

IUPACN'-methyl-2-(2-methylphenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine-4-carboximidamide;hydroiodide
SMILESC/N=C(\NCc1csc(C(C)C)n1)N1CCOC(c2ccccc2C)C1.I
InChIInChI=1S/C20H28N4OS.HI/c1-14(2)19-23-16(13-26-19)11-22-20(21-4)24-9-10-25-18(12-24)17-8-6-5-7-15(17)3;/h5-8,13-14,18H,9-12H2,1-4H3,(H,21,22);1H
InChIKeyYNWLCOZDURXOIS-UHFFFAOYSA-N
MW500.45 g/mol
LogP4.34
Rot. Bonds4

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

N'-methyl-2-(2-methylphenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine-4-carboximidamide;hydroiodide (PubChem CID 109481644) has the molecular formula C20H29IN4OS and a molecular weight of 500.45 g/mol. Its IUPAC name is N'-methyl-2-(2-methylphenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-methyl-2-(2-methylphenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine-4-carboximidamide;hydroiodide
PubChem CID109481644
Molecular FormulaC20H29IN4OS
Molecular Weight500.45 g/mol
Exact Mass500.11
IUPAC NameN'-methyl-2-(2-methylphenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine-4-carboximidamide;hydroiodide
SMILESC/N=C(\NCc1csc(C(C)C)n1)N1CCOC(c2ccccc2C)C1.I
InChIInChI=1S/C20H28N4OS.HI/c1-14(2)19-23-16(13-26-19)11-22-20(21-4)24-9-10-25-18(12-24)17-8-6-5-7-15(17)3;/h5-8,13-14,18H,9-12H2,1-4H3,(H,21,22);1H
InChIKeyYNWLCOZDURXOIS-UHFFFAOYSA-N
XLogP4.34
TPSA49.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.45
LogP ≤ 54.34
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'-methyl-2-(2-methylphenyl)-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]morpholine-4-carboximidamide;hydroiodide
CID 109480103
N'-methyl-N-(3-methylbutyl)-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109479895
N'-methyl-2-(2-methylphenyl)-N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 109481075
N'-methyl-2-(2-methylphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-carboximidamide
CID 109481243
N'-methyl-2-(2-methylphenyl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]morpholine-4-carboximidamide
CID 109480737
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109479477
N'-methyl-2-(2-methylphenyl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]morpholine-4-carboximidamide;hydroiodide
CID 109479968
N'-methyl-2-(2-methylphenyl)-N-prop-2-ynylmorpholine-4-carboximidamide;hydroiodide
CID 109479908
N'-methyl-2-(2-methylphenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)morpholine-4-carboximidamide
CID 109480955
N-[(6-chloro-3-pyridinyl)methyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109480032
N-[(2-ethoxy-3-pyridinyl)methyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109481438
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109480348

Frequently Asked Questions

What is the IUPAC name of N'-methyl-2-(2-methylphenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-methyl-2-(2-methylphenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine-4-carboximidamide;hydroiodide (CID 109481644) is N'-methyl-2-(2-methylphenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-methyl-2-(2-methylphenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-methyl-2-(2-methylphenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine-4-carboximidamide;hydroiodide is C/N=C(\NCc1csc(C(C)C)n1)N1CCOC(c2ccccc2C)C1.I.
What is the InChIKey of N'-methyl-2-(2-methylphenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine-4-carboximidamide;hydroiodide?
The InChIKey is YNWLCOZDURXOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4OS.HI/c1-14(2)19-23-16(13-26-19)11-22-20(21-4)24-9-10-25-18(12-24)17-8-6-5-7-15(17)3;/h5-8,13-14,18H,9-12H2,1-4H3,(H,21,22);1H.
What are the key properties of N'-methyl-2-(2-methylphenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine-4-carboximidamide;hydroiodide?
N'-methyl-2-(2-methylphenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine-4-carboximidamide;hydroiodide has a molecular weight of 500.45 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-2-(2-methylphenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 109481644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).