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

C18H24N4OS — CID 109481243

IUPACN'-methyl-2-(2-methylphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-carboximidamide
SMILESC/N=C(\NCc1scnc1C)N1CCOC(c2ccccc2C)C1
InChIInChI=1S/C18H24N4OS/c1-13-6-4-5-7-15(13)16-11-22(8-9-23-16)18(19-3)20-10-17-14(2)21-12-24-17/h4-7,12,16H,8-11H2,1-3H3,(H,19,20)
InChIKeyODKYXZBSVXTKQA-UHFFFAOYSA-N
MW344.48 g/mol
LogP2.91
Rot. Bonds3

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

N'-methyl-2-(2-methylphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-carboximidamide (PubChem CID 109481243) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is N'-methyl-2-(2-methylphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-methyl-2-(2-methylphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-carboximidamide
PubChem CID109481243
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC NameN'-methyl-2-(2-methylphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-carboximidamide
SMILESC/N=C(\NCc1scnc1C)N1CCOC(c2ccccc2C)C1
InChIInChI=1S/C18H24N4OS/c1-13-6-4-5-7-15(13)16-11-22(8-9-23-16)18(19-3)20-10-17-14(2)21-12-24-17/h4-7,12,16H,8-11H2,1-3H3,(H,19,20)
InChIKeyODKYXZBSVXTKQA-UHFFFAOYSA-N
XLogP2.91
TPSA49.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.91
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-3-(2-methylphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 119142894
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-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 109481644
N-[(6-chloro-3-pyridinyl)methyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109480032
N'-methyl-2-(2-methylphenyl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]morpholine-4-carboximidamide
CID 109480737
N'-methyl-2-(2-methylphenyl)-N-prop-2-ynylmorpholine-4-carboximidamide;hydroiodide
CID 109479908
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109480348
N'-methyl-2-(2-methylphenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)morpholine-4-carboximidamide
CID 109480955
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109479477
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-[(2-ethoxy-3-pyridinyl)methyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109481438

Frequently Asked Questions

What is the IUPAC name of N'-methyl-2-(2-methylphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-carboximidamide?
The IUPAC name of N'-methyl-2-(2-methylphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-carboximidamide (CID 109481243) is N'-methyl-2-(2-methylphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-carboximidamide.
What is the SMILES notation for N'-methyl-2-(2-methylphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-carboximidamide?
The canonical SMILES for N'-methyl-2-(2-methylphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-carboximidamide is C/N=C(\NCc1scnc1C)N1CCOC(c2ccccc2C)C1.
What is the InChIKey of N'-methyl-2-(2-methylphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-carboximidamide?
The InChIKey is ODKYXZBSVXTKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-13-6-4-5-7-15(13)16-11-22(8-9-23-16)18(19-3)20-10-17-14(2)21-12-24-17/h4-7,12,16H,8-11H2,1-3H3,(H,19,20).
What are the key properties of N'-methyl-2-(2-methylphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-carboximidamide?
N'-methyl-2-(2-methylphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-carboximidamide has a molecular weight of 344.48 g/mol, XLogP of 2.91, 3 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-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-carboximidamide is sourced from PubChem (CID 109481243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).