N,2-diethyl-N'-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide

C13H24IN5OS — CID 109485307

IUPACN,2-diethyl-N'-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
SMILESCCN/C(=N\Cc1noc(C)n1)N1CCSC(CC)C1.I
InChIInChI=1S/C13H23N5OS.HI/c1-4-11-9-18(6-7-20-11)13(14-5-2)15-8-12-16-10(3)19-17-12;/h11H,4-9H2,1-3H3,(H,14,15);1H
InChIKeyZHQIWSIRFIEDHS-UHFFFAOYSA-N
MW425.34 g/mol
LogP2.29
Rot. Bonds4

About N,2-diethyl-N'-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide

N,2-diethyl-N'-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide (PubChem CID 109485307) has the molecular formula C13H24IN5OS and a molecular weight of 425.34 g/mol. Its IUPAC name is N,2-diethyl-N'-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN,2-diethyl-N'-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
PubChem CID109485307
Molecular FormulaC13H24IN5OS
Molecular Weight425.34 g/mol
Exact Mass425.07
IUPAC NameN,2-diethyl-N'-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
SMILESCCN/C(=N\Cc1noc(C)n1)N1CCSC(CC)C1.I
InChIInChI=1S/C13H23N5OS.HI/c1-4-11-9-18(6-7-20-11)13(14-5-2)15-8-12-16-10(3)19-17-12;/h11H,4-9H2,1-3H3,(H,14,15);1H
InChIKeyZHQIWSIRFIEDHS-UHFFFAOYSA-N
XLogP2.29
TPSA66.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.34
LogP ≤ 52.29
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-ethyl-N'-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111790197
N,2-diethyl-N'-[(2-methylpyrazol-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109485519
N,2-diethyl-N'-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]thiomorpholine-4-carboximidamide
CID 109485304
N'-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide
CID 109486966
N,2-diethyl-N'-(thiophen-2-ylmethyl)thiomorpholine-4-carboximidamide
CID 109485860
N,2-diethyl-N'-[(2-ethyl-1,3-thiazol-4-yl)methyl]thiomorpholine-4-carboximidamide
CID 109485344
N,2-diethyl-N'-(furan-2-ylmethyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 109486841
N'-benzyl-N,2-diethylthiomorpholine-4-carboximidamide
CID 109486214
N,2-diethyl-N'-propylthiomorpholine-4-carboximidamide
CID 109486532
N,2-diethyl-N'-[[2-(hydroxymethyl)phenyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109485249
N'-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N,2-diethylthiomorpholine-4-carboximidamide
CID 109486994
N'-[[2-[(dimethylamino)methyl]phenyl]methyl]-N,2-diethylthiomorpholine-4-carboximidamide
CID 109484776

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-N'-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N,2-diethyl-N'-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide (CID 109485307) is N,2-diethyl-N'-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N,2-diethyl-N'-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N,2-diethyl-N'-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide is CCN/C(=N\Cc1noc(C)n1)N1CCSC(CC)C1.I.
What is the InChIKey of N,2-diethyl-N'-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide?
The InChIKey is ZHQIWSIRFIEDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5OS.HI/c1-4-11-9-18(6-7-20-11)13(14-5-2)15-8-12-16-10(3)19-17-12;/h11H,4-9H2,1-3H3,(H,14,15);1H.
What are the key properties of N,2-diethyl-N'-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide?
N,2-diethyl-N'-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide has a molecular weight of 425.34 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-N'-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 109485307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).