3-ethyl-1-methyl-2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine

C20H30N6OS — CID 109422046

IUPAC3-ethyl-1-methyl-2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine
SMILESCCN/C(=N\Cc1ccc(N2CCOC(C)C2)nc1)N(C)Cc1csc(C)n1
InChIInChI=1S/C20H30N6OS/c1-5-21-20(25(4)13-18-14-28-16(3)24-18)23-11-17-6-7-19(22-10-17)26-8-9-27-15(2)12-26/h6-7,10,14-15H,5,8-9,11-13H2,1-4H3,(H,21,23)
InChIKeyRWFFETCQGXOMAE-UHFFFAOYSA-N
MW402.57 g/mol
LogP2.67
Rot. Bonds6

About 3-ethyl-1-methyl-2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine

3-ethyl-1-methyl-2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine (PubChem CID 109422046) has the molecular formula C20H30N6OS and a molecular weight of 402.57 g/mol. Its IUPAC name is 3-ethyl-1-methyl-2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine.

Molecular Properties

Compound Name3-ethyl-1-methyl-2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine
PubChem CID109422046
Molecular FormulaC20H30N6OS
Molecular Weight402.57 g/mol
Exact Mass402.22
IUPAC Name3-ethyl-1-methyl-2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine
SMILESCCN/C(=N\Cc1ccc(N2CCOC(C)C2)nc1)N(C)Cc1csc(C)n1
InChIInChI=1S/C20H30N6OS/c1-5-21-20(25(4)13-18-14-28-16(3)24-18)23-11-17-6-7-19(22-10-17)26-8-9-27-15(2)12-26/h6-7,10,14-15H,5,8-9,11-13H2,1-4H3,(H,21,23)
InChIKeyRWFFETCQGXOMAE-UHFFFAOYSA-N
XLogP2.67
TPSA65.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.57
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

1-butyl-3-ethyl-1-methyl-2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111160063
3-ethyl-1-methyl-2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(oxolan-3-ylmethyl)guanidine
CID 109382922
1-butyl-3-ethyl-2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine
CID 111151814
3-benzyl-1,1-dimethyl-2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111049353
2-methyl-1-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111932526
1-ethyl-2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-3-prop-2-ynylguanidine
CID 111848579
3-ethyl-2-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide
CID 109422619
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-3-ethyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine
CID 109423244
3-ethyl-1-methyl-2-[(4-methylsulfanylphenyl)methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine
CID 109422670
1-ethyl-3-(4-hydroxycyclohexyl)-2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111189139
1-ethyl-3-(3-methylbutyl)-2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 110977000
1-ethyl-3-(2-methoxyethyl)-2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine
CID 110939120

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine?
The IUPAC name of 3-ethyl-1-methyl-2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine (CID 109422046) is 3-ethyl-1-methyl-2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine.
What is the SMILES notation for 3-ethyl-1-methyl-2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine?
The canonical SMILES for 3-ethyl-1-methyl-2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine is CCN/C(=N\Cc1ccc(N2CCOC(C)C2)nc1)N(C)Cc1csc(C)n1.
What is the InChIKey of 3-ethyl-1-methyl-2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine?
The InChIKey is RWFFETCQGXOMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6OS/c1-5-21-20(25(4)13-18-14-28-16(3)24-18)23-11-17-6-7-19(22-10-17)26-8-9-27-15(2)12-26/h6-7,10,14-15H,5,8-9,11-13H2,1-4H3,(H,21,23).
What are the key properties of 3-ethyl-1-methyl-2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine?
3-ethyl-1-methyl-2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine has a molecular weight of 402.57 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine is sourced from PubChem (CID 109422046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).