N'-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide

C11H20IN5OS — CID 119159369

IUPACN'-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide
SMILESCC(C)c1nnc(C/N=C(\N)N2CCOCC2)s1.I
InChIInChI=1S/C11H19N5OS.HI/c1-8(2)10-15-14-9(18-10)7-13-11(12)16-3-5-17-6-4-16;/h8H,3-7H2,1-2H3,(H2,12,13);1H
InChIKeyGACAHIVFIVGXAA-UHFFFAOYSA-N
MW397.29 g/mol
LogP1.43
Rot. Bonds3

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

N'-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide (PubChem CID 119159369) has the molecular formula C11H20IN5OS and a molecular weight of 397.29 g/mol. Its IUPAC name is N'-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide
PubChem CID119159369
Molecular FormulaC11H20IN5OS
Molecular Weight397.29 g/mol
Exact Mass397.04
IUPAC NameN'-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide
SMILESCC(C)c1nnc(C/N=C(\N)N2CCOCC2)s1.I
InChIInChI=1S/C11H19N5OS.HI/c1-8(2)10-15-14-9(18-10)7-13-11(12)16-3-5-17-6-4-16;/h8H,3-7H2,1-2H3,(H2,12,13);1H
InChIKeyGACAHIVFIVGXAA-UHFFFAOYSA-N
XLogP1.43
TPSA76.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.29
LogP ≤ 51.43
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N'-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 119119988
N'-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 111100700
N'-[(2,5-dichlorothiophen-3-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 86781929
N'-(2-morpholin-4-ylpropyl)morpholine-4-carboximidamide
CID 111055185
N'-[(2-methylpyrimidin-4-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 119119928
N'-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 120762698
N'-[(4-tert-butylphenyl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 111045453
N'-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]morpholine-4-carboximidamide
CID 111600825
N'-[(1-methylpyrrol-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 119146669
propan-2-yl 4-[[amino(morpholin-4-yl)methylidene]amino]butanoate;hydroiodide
CID 110062039
N'-[(2,5-dimethylpyrazol-3-yl)methyl]morpholine-4-carboximidamide
CID 120913510
N'-[[2-(hydroxymethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111077296

Frequently Asked Questions

What is the IUPAC name of N'-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide (CID 119159369) is N'-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide is CC(C)c1nnc(C/N=C(\N)N2CCOCC2)s1.I.
What is the InChIKey of N'-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide?
The InChIKey is GACAHIVFIVGXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5OS.HI/c1-8(2)10-15-14-9(18-10)7-13-11(12)16-3-5-17-6-4-16;/h8H,3-7H2,1-2H3,(H2,12,13);1H.
What are the key properties of N'-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide?
N'-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide has a molecular weight of 397.29 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 119159369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).