N-ethyl-N'-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2-dimethylthiomorpholine-4-carboximidamide

C15H26N4S2 — CID 109489427

IUPACN-ethyl-N'-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2-dimethylthiomorpholine-4-carboximidamide
SMILESCCN/C(=N\Cc1ncc(CC)s1)N1CCSC(C)(C)C1
InChIInChI=1S/C15H26N4S2/c1-5-12-9-17-13(21-12)10-18-14(16-6-2)19-7-8-20-15(3,4)11-19/h9H,5-8,10-11H2,1-4H3,(H,16,18)
InChIKeyHVDOHHNJNRGPPV-UHFFFAOYSA-N
MW326.54 g/mol
LogP3.00
Rot. Bonds4

About N-ethyl-N'-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2-dimethylthiomorpholine-4-carboximidamide

N-ethyl-N'-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2-dimethylthiomorpholine-4-carboximidamide (PubChem CID 109489427) has the molecular formula C15H26N4S2 and a molecular weight of 326.54 g/mol. Its IUPAC name is N-ethyl-N'-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2-dimethylthiomorpholine-4-carboximidamide.

Molecular Properties

Compound NameN-ethyl-N'-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2-dimethylthiomorpholine-4-carboximidamide
PubChem CID109489427
Molecular FormulaC15H26N4S2
Molecular Weight326.54 g/mol
Exact Mass326.16
IUPAC NameN-ethyl-N'-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2-dimethylthiomorpholine-4-carboximidamide
SMILESCCN/C(=N\Cc1ncc(CC)s1)N1CCSC(C)(C)C1
InChIInChI=1S/C15H26N4S2/c1-5-12-9-17-13(21-12)10-18-14(16-6-2)19-7-8-20-15(3,4)11-19/h9H,5-8,10-11H2,1-4H3,(H,16,18)
InChIKeyHVDOHHNJNRGPPV-UHFFFAOYSA-N
XLogP3.00
TPSA40.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.54
LogP ≤ 53.00
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'}

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Related Compounds

N-ethyl-N'-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2-dimethylthiomorpholine-4-carboximidamide;hydroiodide
CID 109489426
N-ethyl-N'-[(5-ethyl-1,3-thiazol-2-yl)methyl]pyrrolidine-1-carboximidamide
CID 111493048
N-ethyl-N'-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2,3,3-tetramethylazetidine-1-carboximidamide
CID 109453750
N'-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-N-ethyl-2,2-dimethylthiomorpholine-4-carboximidamide;hydroiodide
CID 109489462
N-ethyl-N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2,2-dimethylthiomorpholine-4-carboximidamide;hydroiodide
CID 109489578
N'-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-ethyl-2,2-dimethylthiomorpholine-4-carboximidamide
CID 109488584
N-ethyl-2,2-dimethyl-N'-propylthiomorpholine-4-carboximidamide;hydroiodide
CID 109489294
N'-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-ethyl-2,2-dimethylthiomorpholine-4-carboximidamide;hydroiodide
CID 109489258
N-ethyl-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylthiomorpholine-4-carboximidamide;hydroiodide
CID 109489284
N-ethyl-N'-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]-2,2-dimethylthiomorpholine-4-carboximidamide
CID 109490077
N'-butyl-N-ethyl-2,2-dimethylthiomorpholine-4-carboximidamide
CID 109489605
N'-[[2-[(dimethylamino)methyl]phenyl]methyl]-N-ethyl-2,2-dimethylthiomorpholine-4-carboximidamide
CID 109487535

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2-dimethylthiomorpholine-4-carboximidamide?
The IUPAC name of N-ethyl-N'-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2-dimethylthiomorpholine-4-carboximidamide (CID 109489427) is N-ethyl-N'-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2-dimethylthiomorpholine-4-carboximidamide.
What is the SMILES notation for N-ethyl-N'-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2-dimethylthiomorpholine-4-carboximidamide?
The canonical SMILES for N-ethyl-N'-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2-dimethylthiomorpholine-4-carboximidamide is CCN/C(=N\Cc1ncc(CC)s1)N1CCSC(C)(C)C1.
What is the InChIKey of N-ethyl-N'-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2-dimethylthiomorpholine-4-carboximidamide?
The InChIKey is HVDOHHNJNRGPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4S2/c1-5-12-9-17-13(21-12)10-18-14(16-6-2)19-7-8-20-15(3,4)11-19/h9H,5-8,10-11H2,1-4H3,(H,16,18).
What are the key properties of N-ethyl-N'-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2-dimethylthiomorpholine-4-carboximidamide?
N-ethyl-N'-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2-dimethylthiomorpholine-4-carboximidamide has a molecular weight of 326.54 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2-dimethylthiomorpholine-4-carboximidamide is sourced from PubChem (CID 109489427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).