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

C11H19N5OS — CID 111600825

IUPACN'-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]morpholine-4-carboximidamide
SMILESCN(C)c1nc(C/N=C(\N)N2CCOCC2)cs1
InChIInChI=1S/C11H19N5OS/c1-15(2)11-14-9(8-18-11)7-13-10(12)16-3-5-17-6-4-16/h8H,3-7H2,1-2H3,(H2,12,13)
InChIKeyHOPRNCJGQVIJKS-UHFFFAOYSA-N
MW269.37 g/mol
LogP0.36
Rot. Bonds3

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

N'-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]morpholine-4-carboximidamide (PubChem CID 111600825) has the molecular formula C11H19N5OS and a molecular weight of 269.37 g/mol. Its IUPAC name is N'-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]morpholine-4-carboximidamide
PubChem CID111600825
Molecular FormulaC11H19N5OS
Molecular Weight269.37 g/mol
Exact Mass269.13
IUPAC NameN'-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]morpholine-4-carboximidamide
SMILESCN(C)c1nc(C/N=C(\N)N2CCOCC2)cs1
InChIInChI=1S/C11H19N5OS/c1-15(2)11-14-9(8-18-11)7-13-10(12)16-3-5-17-6-4-16/h8H,3-7H2,1-2H3,(H2,12,13)
InChIKeyHOPRNCJGQVIJKS-UHFFFAOYSA-N
XLogP0.36
TPSA66.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111600781
N'-[(2-methylpyrimidin-4-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 119119928
2-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-1-ethyl-3-(3-morpholin-4-ylpropyl)guanidine
CID 111963941
N'-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 111100700
2-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-1-ethyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine
CID 111964059
4-[[[amino(morpholin-4-yl)methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide
CID 111040924
N'-[[2-(dimethylamino)-4-methylphenyl]methyl]morpholine-4-carboximidamide
CID 111975223
N'-[[4-(dimethylamino)-2-methylphenyl]methyl]morpholine-4-carboximidamide
CID 111815028
N'-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 119119988
N'-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)morpholine-4-carboximidamide;hydroiodide
CID 119121254
N'-(imidazo[1,2-a]pyridin-2-ylmethyl)morpholine-4-carboximidamide
CID 111031170
2-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-1-prop-2-enylguanidine;hydroiodide
CID 111573035

Frequently Asked Questions

What is the IUPAC name of N'-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]morpholine-4-carboximidamide?
The IUPAC name of N'-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]morpholine-4-carboximidamide (CID 111600825) is N'-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]morpholine-4-carboximidamide.
What is the SMILES notation for N'-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]morpholine-4-carboximidamide?
The canonical SMILES for N'-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]morpholine-4-carboximidamide is CN(C)c1nc(C/N=C(\N)N2CCOCC2)cs1.
What is the InChIKey of N'-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]morpholine-4-carboximidamide?
The InChIKey is HOPRNCJGQVIJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5OS/c1-15(2)11-14-9(8-18-11)7-13-10(12)16-3-5-17-6-4-16/h8H,3-7H2,1-2H3,(H2,12,13).
What are the key properties of N'-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]morpholine-4-carboximidamide?
N'-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]morpholine-4-carboximidamide has a molecular weight of 269.37 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]morpholine-4-carboximidamide is sourced from PubChem (CID 111600825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).