N,2-diethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)thiomorpholine-4-carboximidamide

C18H27N5S — CID 109485966

IUPACN,2-diethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)thiomorpholine-4-carboximidamide
SMILESCCN/C(=N\CCc1cn2ccccc2n1)N1CCSC(CC)C1
InChIInChI=1S/C18H27N5S/c1-3-16-14-23(11-12-24-16)18(19-4-2)20-9-8-15-13-22-10-6-5-7-17(22)21-15/h5-7,10,13,16H,3-4,8-9,11-12,14H2,1-2H3,(H,19,20)
InChIKeyMUXFTRGBXRJADI-UHFFFAOYSA-N
MW345.52 g/mol
LogP2.67
Rot. Bonds5

About N,2-diethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)thiomorpholine-4-carboximidamide

N,2-diethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)thiomorpholine-4-carboximidamide (PubChem CID 109485966) has the molecular formula C18H27N5S and a molecular weight of 345.52 g/mol. Its IUPAC name is N,2-diethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)thiomorpholine-4-carboximidamide.

Molecular Properties

Compound NameN,2-diethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)thiomorpholine-4-carboximidamide
PubChem CID109485966
Molecular FormulaC18H27N5S
Molecular Weight345.52 g/mol
Exact Mass345.20
IUPAC NameN,2-diethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)thiomorpholine-4-carboximidamide
SMILESCCN/C(=N\CCc1cn2ccccc2n1)N1CCSC(CC)C1
InChIInChI=1S/C18H27N5S/c1-3-16-14-23(11-12-24-16)18(19-4-2)20-9-8-15-13-22-10-6-5-7-17(22)21-15/h5-7,10,13,16H,3-4,8-9,11-12,14H2,1-2H3,(H,19,20)
InChIKeyMUXFTRGBXRJADI-UHFFFAOYSA-N
XLogP2.67
TPSA44.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.52
LogP ≤ 52.67
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'-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3,5-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111153181
N-ethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)pyrrolidine-1-carboximidamide
CID 110956238
N-ethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-methylpiperidine-1-carboximidamide
CID 111210841
4-acetyl-N-ethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)piperazine-1-carboximidamide;hydroiodide
CID 110963476
N-ethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-phenylpiperazine-1-carboximidamide
CID 110961655
N-ethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-(phenylsulfanylmethyl)pyrrolidine-1-carboximidamide
CID 111748726
N,2-diethyl-N'-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109485144
N,2-diethyl-N'-propylthiomorpholine-4-carboximidamide
CID 109486532
N'-benzyl-N,2-diethylthiomorpholine-4-carboximidamide
CID 109486214
N'-[2-(1-benzylimidazol-2-yl)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide;hydroiodide
CID 109487237
N,2-diethyl-N'-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 109486609
N'-[2-(benzenesulfonamido)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide;hydroiodide
CID 109485044

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)thiomorpholine-4-carboximidamide?
The IUPAC name of N,2-diethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)thiomorpholine-4-carboximidamide (CID 109485966) is N,2-diethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)thiomorpholine-4-carboximidamide.
What is the SMILES notation for N,2-diethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)thiomorpholine-4-carboximidamide?
The canonical SMILES for N,2-diethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)thiomorpholine-4-carboximidamide is CCN/C(=N\CCc1cn2ccccc2n1)N1CCSC(CC)C1.
What is the InChIKey of N,2-diethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)thiomorpholine-4-carboximidamide?
The InChIKey is MUXFTRGBXRJADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5S/c1-3-16-14-23(11-12-24-16)18(19-4-2)20-9-8-15-13-22-10-6-5-7-17(22)21-15/h5-7,10,13,16H,3-4,8-9,11-12,14H2,1-2H3,(H,19,20).
What are the key properties of N,2-diethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)thiomorpholine-4-carboximidamide?
N,2-diethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)thiomorpholine-4-carboximidamide has a molecular weight of 345.52 g/mol, XLogP of 2.67, 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'-(2-imidazo[1,2-a]pyridin-2-ylethyl)thiomorpholine-4-carboximidamide is sourced from PubChem (CID 109485966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).