N'-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]thiomorpholine-4-carboximidamide

C19H24N4O2S — CID 111051246

IUPACN'-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]thiomorpholine-4-carboximidamide
SMILESCCOc1ccccc1Oc1ccc(C/N=C(\N)N2CCSCC2)cn1
InChIInChI=1S/C19H24N4O2S/c1-2-24-16-5-3-4-6-17(16)25-18-8-7-15(13-21-18)14-22-19(20)23-9-11-26-12-10-23/h3-8,13H,2,9-12,14H2,1H3,(H2,20,22)
InChIKeyZILJRPAWWIFALK-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.14
Rot. Bonds6

About N'-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]thiomorpholine-4-carboximidamide

N'-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]thiomorpholine-4-carboximidamide (PubChem CID 111051246) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is N'-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]thiomorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]thiomorpholine-4-carboximidamide
PubChem CID111051246
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC NameN'-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]thiomorpholine-4-carboximidamide
SMILESCCOc1ccccc1Oc1ccc(C/N=C(\N)N2CCSCC2)cn1
InChIInChI=1S/C19H24N4O2S/c1-2-24-16-5-3-4-6-17(16)25-18-8-7-15(13-21-18)14-22-19(20)23-9-11-26-12-10-23/h3-8,13H,2,9-12,14H2,1H3,(H2,20,22)
InChIKeyZILJRPAWWIFALK-UHFFFAOYSA-N
XLogP3.14
TPSA72.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.14
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'}

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Related Compounds

N'-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111051251
N'-[(6-propoxy-3-pyridinyl)methyl]thiomorpholine-4-carboximidamide
CID 111804494
N'-[(3-ethoxy-4-methoxyphenyl)methyl]thiomorpholine-4-carboximidamide
CID 111809132
1-butyl-2-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]guanidine
CID 111051192
N'-[[6-(diethylamino)-3-pyridinyl]methyl]thiomorpholine-4-carboximidamide
CID 111048972
N'-[(6-chloro-3-pyridinyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111041968
[6-(2-ethoxyphenoxy)-3-pyridinyl]methanamine
CID 16793659
N'-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-N-ethyl-3-(methoxymethyl)pyrrolidine-1-carboximidamide
CID 111737923
1-(3,4-dihydro-2H-chromen-4-yl)-2-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111598479
2-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-1-ethyl-3-(2-methylpropyl)guanidine;hydroiodide
CID 111178479
2-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-1-ethyl-3-prop-2-ynylguanidine;hydroiodide
CID 111848574
N'-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111052850

Frequently Asked Questions

What is the IUPAC name of N'-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]thiomorpholine-4-carboximidamide?
The IUPAC name of N'-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]thiomorpholine-4-carboximidamide (CID 111051246) is N'-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]thiomorpholine-4-carboximidamide.
What is the SMILES notation for N'-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]thiomorpholine-4-carboximidamide?
The canonical SMILES for N'-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]thiomorpholine-4-carboximidamide is CCOc1ccccc1Oc1ccc(C/N=C(\N)N2CCSCC2)cn1.
What is the InChIKey of N'-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]thiomorpholine-4-carboximidamide?
The InChIKey is ZILJRPAWWIFALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2S/c1-2-24-16-5-3-4-6-17(16)25-18-8-7-15(13-21-18)14-22-19(20)23-9-11-26-12-10-23/h3-8,13H,2,9-12,14H2,1H3,(H2,20,22).
What are the key properties of N'-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]thiomorpholine-4-carboximidamide?
N'-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]thiomorpholine-4-carboximidamide has a molecular weight of 372.49 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]thiomorpholine-4-carboximidamide is sourced from PubChem (CID 111051246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).