N,2-diethyl-N'-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]thiomorpholine-4-carboximidamide

C16H28N4OS — CID 109485304

IUPACN,2-diethyl-N'-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]thiomorpholine-4-carboximidamide
SMILESCCN/C(=N\Cc1cc(C(C)C)no1)N1CCSC(CC)C1
InChIInChI=1S/C16H28N4OS/c1-5-14-11-20(7-8-22-14)16(17-6-2)18-10-13-9-15(12(3)4)19-21-13/h9,12,14H,5-8,10-11H2,1-4H3,(H,17,18)
InChIKeyFBHSSCYBAMODPI-UHFFFAOYSA-N
MW324.49 g/mol
LogP3.09
Rot. Bonds5

About N,2-diethyl-N'-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]thiomorpholine-4-carboximidamide

N,2-diethyl-N'-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]thiomorpholine-4-carboximidamide (PubChem CID 109485304) has the molecular formula C16H28N4OS and a molecular weight of 324.49 g/mol. Its IUPAC name is N,2-diethyl-N'-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]thiomorpholine-4-carboximidamide.

Molecular Properties

Compound NameN,2-diethyl-N'-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]thiomorpholine-4-carboximidamide
PubChem CID109485304
Molecular FormulaC16H28N4OS
Molecular Weight324.49 g/mol
Exact Mass324.20
IUPAC NameN,2-diethyl-N'-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]thiomorpholine-4-carboximidamide
SMILESCCN/C(=N\Cc1cc(C(C)C)no1)N1CCSC(CC)C1
InChIInChI=1S/C16H28N4OS/c1-5-14-11-20(7-8-22-14)16(17-6-2)18-10-13-9-15(12(3)4)19-21-13/h9,12,14H,5-8,10-11H2,1-4H3,(H,17,18)
InChIKeyFBHSSCYBAMODPI-UHFFFAOYSA-N
XLogP3.09
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.49
LogP ≤ 53.09
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'}

Analyze N,2-diethyl-N'-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]thiomorpholine-4-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,2-diethyl-N'-(furan-2-ylmethyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 109486841
N,2-diethyl-N'-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109485307
N,2-diethyl-N'-(thiophen-2-ylmethyl)thiomorpholine-4-carboximidamide
CID 109485860
N'-benzyl-N,2-diethylthiomorpholine-4-carboximidamide
CID 109486214
N,2-diethyl-N'-[(2-methylpyrazol-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109485519
N'-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N,2-diethylthiomorpholine-4-carboximidamide
CID 109486994
N'-[(2-ethoxy-4-pyridinyl)methyl]-N,2-diethylthiomorpholine-4-carboximidamide
CID 109485396
N,2-diethyl-N'-[(2-ethyl-1,3-thiazol-4-yl)methyl]thiomorpholine-4-carboximidamide
CID 109485344
N,2-diethyl-N'-propylthiomorpholine-4-carboximidamide
CID 109486532
N,2-diethyl-N'-(1H-indol-2-ylmethyl)thiomorpholine-4-carboximidamide
CID 109486190
N,2-diethyl-N'-[[2-(hydroxymethyl)phenyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109485249
N'-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide
CID 109486966

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-N'-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]thiomorpholine-4-carboximidamide?
The IUPAC name of N,2-diethyl-N'-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]thiomorpholine-4-carboximidamide (CID 109485304) is N,2-diethyl-N'-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]thiomorpholine-4-carboximidamide.
What is the SMILES notation for N,2-diethyl-N'-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]thiomorpholine-4-carboximidamide?
The canonical SMILES for N,2-diethyl-N'-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]thiomorpholine-4-carboximidamide is CCN/C(=N\Cc1cc(C(C)C)no1)N1CCSC(CC)C1.
What is the InChIKey of N,2-diethyl-N'-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]thiomorpholine-4-carboximidamide?
The InChIKey is FBHSSCYBAMODPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4OS/c1-5-14-11-20(7-8-22-14)16(17-6-2)18-10-13-9-15(12(3)4)19-21-13/h9,12,14H,5-8,10-11H2,1-4H3,(H,17,18).
What are the key properties of N,2-diethyl-N'-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]thiomorpholine-4-carboximidamide?
N,2-diethyl-N'-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]thiomorpholine-4-carboximidamide has a molecular weight of 324.49 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-N'-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]thiomorpholine-4-carboximidamide is sourced from PubChem (CID 109485304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).