N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-ethyl-N'-methylthiomorpholine-4-carboximidamide;hydroiodide

C15H27IN4OS — CID 109486963

IUPACN-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-ethyl-N'-methylthiomorpholine-4-carboximidamide;hydroiodide
SMILESCCC1CN(/C(=N/C)NCCc2c(C)noc2C)CCS1.I
InChIInChI=1S/C15H26N4OS.HI/c1-5-13-10-19(8-9-21-13)15(16-4)17-7-6-14-11(2)18-20-12(14)3;/h13H,5-10H2,1-4H3,(H,16,17);1H
InChIKeyRUZXZKHTJVQYRF-UHFFFAOYSA-N
MW438.38 g/mol
LogP2.85
Rot. Bonds4

About N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-ethyl-N'-methylthiomorpholine-4-carboximidamide;hydroiodide

N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-ethyl-N'-methylthiomorpholine-4-carboximidamide;hydroiodide (PubChem CID 109486963) has the molecular formula C15H27IN4OS and a molecular weight of 438.38 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-ethyl-N'-methylthiomorpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-ethyl-N'-methylthiomorpholine-4-carboximidamide;hydroiodide
PubChem CID109486963
Molecular FormulaC15H27IN4OS
Molecular Weight438.38 g/mol
Exact Mass438.10
IUPAC NameN-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-ethyl-N'-methylthiomorpholine-4-carboximidamide;hydroiodide
SMILESCCC1CN(/C(=N/C)NCCc2c(C)noc2C)CCS1.I
InChIInChI=1S/C15H26N4OS.HI/c1-5-13-10-19(8-9-21-13)15(16-4)17-7-6-14-11(2)18-20-12(14)3;/h13H,5-10H2,1-4H3,(H,16,17);1H
InChIKeyRUZXZKHTJVQYRF-UHFFFAOYSA-N
XLogP2.85
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.38
LogP ≤ 52.85
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-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide
CID 109486966
2-ethyl-N'-methyl-N-propylthiomorpholine-4-carboximidamide;hydroiodide
CID 109484695
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-hydroxy-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 119157988
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide;hydroiodide
CID 109489722
2-ethyl-N'-methyl-N-[2-(2,4,6-trimethoxyphenyl)ethyl]thiomorpholine-4-carboximidamide
CID 109487314
4-acetyl-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N'-methylpiperazine-1-carboximidamide
CID 119157757
2-ethyl-N-[2-(furan-2-yl)ethyl]-N'-methylthiomorpholine-4-carboximidamide;hydroiodide
CID 109485905
2-ethyl-N-(3-fluoropropyl)-N'-methylthiomorpholine-4-carboximidamide;hydroiodide
CID 109487037
2-ethyl-N'-methyl-N-[2-(3-methyl-4-pyridinyl)ethyl]thiomorpholine-4-carboximidamide
CID 109486754
2-ethyl-N'-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109485733
N-[2-[[C-(2-ethylthiomorpholin-4-yl)-N-methylcarbonimidoyl]amino]ethyl]-2-methylpropanamide;hydroiodide
CID 109484755
tert-butyl N-[2-[[C-(2-ethylthiomorpholin-4-yl)-N-methylcarbonimidoyl]amino]ethyl]carbamate;hydroiodide
CID 109486935

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-ethyl-N'-methylthiomorpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-ethyl-N'-methylthiomorpholine-4-carboximidamide;hydroiodide (CID 109486963) is N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-ethyl-N'-methylthiomorpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-ethyl-N'-methylthiomorpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-ethyl-N'-methylthiomorpholine-4-carboximidamide;hydroiodide is CCC1CN(/C(=N/C)NCCc2c(C)noc2C)CCS1.I.
What is the InChIKey of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-ethyl-N'-methylthiomorpholine-4-carboximidamide;hydroiodide?
The InChIKey is RUZXZKHTJVQYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4OS.HI/c1-5-13-10-19(8-9-21-13)15(16-4)17-7-6-14-11(2)18-20-12(14)3;/h13H,5-10H2,1-4H3,(H,16,17);1H.
What are the key properties of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-ethyl-N'-methylthiomorpholine-4-carboximidamide;hydroiodide?
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-ethyl-N'-methylthiomorpholine-4-carboximidamide;hydroiodide has a molecular weight of 438.38 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-ethyl-N'-methylthiomorpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 109486963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).