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

C10H17IN4OS — CID 111100700

IUPACN'-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-carboximidamide;hydroiodide
SMILESCc1ncsc1C/N=C(\N)N1CCOCC1.I
InChIInChI=1S/C10H16N4OS.HI/c1-8-9(16-7-13-8)6-12-10(11)14-2-4-15-5-3-14;/h7H,2-6H2,1H3,(H2,11,12);1H
InChIKeyQPDTZPDDPMAFGG-UHFFFAOYSA-N
MW368.24 g/mol
LogP1.22
Rot. Bonds2

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

N'-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-carboximidamide;hydroiodide (PubChem CID 111100700) has the molecular formula C10H17IN4OS and a molecular weight of 368.24 g/mol. Its IUPAC name is N'-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-carboximidamide;hydroiodide
PubChem CID111100700
Molecular FormulaC10H17IN4OS
Molecular Weight368.24 g/mol
Exact Mass368.02
IUPAC NameN'-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-carboximidamide;hydroiodide
SMILESCc1ncsc1C/N=C(\N)N1CCOCC1.I
InChIInChI=1S/C10H16N4OS.HI/c1-8-9(16-7-13-8)6-12-10(11)14-2-4-15-5-3-14;/h7H,2-6H2,1H3,(H2,11,12);1H
InChIKeyQPDTZPDDPMAFGG-UHFFFAOYSA-N
XLogP1.22
TPSA63.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.24
LogP ≤ 51.22
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'-[(2-methylpyrimidin-4-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 119119928
N'-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 119119988
N'-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 120762698
N'-[(3-methyl-2-pyridinyl)methyl]morpholine-4-carboximidamide
CID 111802374
1-(2-methylpropyl)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine;hydroiodide
CID 110935746
N'-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]morpholine-4-carboximidamide
CID 111600825
N'-[(4-methyl-1,3-thiazol-5-yl)methyl]butanimidamide
CID 63283564
1-ethyl-3-(4-methyl-2-morpholin-4-ylpentyl)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine;hydroiodide
CID 111935578
N'-[(2,5-dimethylpyrazol-3-yl)methyl]morpholine-4-carboximidamide
CID 120913510
N'-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 119159369
N'-[(4-tert-butylphenyl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 111045453
N'-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]morpholine-4-carboximidamide
CID 111813984

Frequently Asked Questions

What is the IUPAC name of N'-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-carboximidamide;hydroiodide (CID 111100700) is N'-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-carboximidamide;hydroiodide is Cc1ncsc1C/N=C(\N)N1CCOCC1.I.
What is the InChIKey of N'-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-carboximidamide;hydroiodide?
The InChIKey is QPDTZPDDPMAFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS.HI/c1-8-9(16-7-13-8)6-12-10(11)14-2-4-15-5-3-14;/h7H,2-6H2,1H3,(H2,11,12);1H.
What are the key properties of N'-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-carboximidamide;hydroiodide?
N'-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-carboximidamide;hydroiodide has a molecular weight of 368.24 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 111100700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).