2-[(6-cyclohexyloxy-3-pyridinyl)methyl]-1-ethyl-3-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine

C20H29N5OS — CID 111524378

IUPAC2-[(6-cyclohexyloxy-3-pyridinyl)methyl]-1-ethyl-3-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine
SMILESCCN/C(=N\Cc1ccc(OC2CCCCC2)nc1)NCc1ncc(C)s1
InChIInChI=1S/C20H29N5OS/c1-3-21-20(25-14-19-23-11-15(2)27-19)24-13-16-9-10-18(22-12-16)26-17-7-5-4-6-8-17/h9-12,17H,3-8,13-14H2,1-2H3,(H2,21,24,25)
InChIKeyLVDYTKQBWZZDMW-UHFFFAOYSA-N
MW387.55 g/mol
LogP3.81
Rot. Bonds7

About 2-[(6-cyclohexyloxy-3-pyridinyl)methyl]-1-ethyl-3-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine

2-[(6-cyclohexyloxy-3-pyridinyl)methyl]-1-ethyl-3-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine (PubChem CID 111524378) has the molecular formula C20H29N5OS and a molecular weight of 387.55 g/mol. Its IUPAC name is 2-[(6-cyclohexyloxy-3-pyridinyl)methyl]-1-ethyl-3-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine.

Molecular Properties

Compound Name2-[(6-cyclohexyloxy-3-pyridinyl)methyl]-1-ethyl-3-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine
PubChem CID111524378
Molecular FormulaC20H29N5OS
Molecular Weight387.55 g/mol
Exact Mass387.21
IUPAC Name2-[(6-cyclohexyloxy-3-pyridinyl)methyl]-1-ethyl-3-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine
SMILESCCN/C(=N\Cc1ccc(OC2CCCCC2)nc1)NCc1ncc(C)s1
InChIInChI=1S/C20H29N5OS/c1-3-21-20(25-14-19-23-11-15(2)27-19)24-13-16-9-10-18(22-12-16)26-17-7-5-4-6-8-17/h9-12,17H,3-8,13-14H2,1-2H3,(H2,21,24,25)
InChIKeyLVDYTKQBWZZDMW-UHFFFAOYSA-N
XLogP3.81
TPSA71.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.55
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(6-cyclohexyloxy-3-pyridinyl)methyl]-1-ethyl-3-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine with MolForge

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Related Compounds

2-[(6-cyclopentyloxy-3-pyridinyl)methyl]-1-ethyl-3-(2-methylpropyl)guanidine
CID 111178474
1-[(6-cyclopentyloxy-3-pyridinyl)methyl]-3-ethyl-2-(thiophen-3-ylmethyl)guanidine
CID 111940921
2-[(6-cyclopentyloxy-3-pyridinyl)methyl]-1-cyclopropyl-3-ethylguanidine
CID 110987722
2-[(6-cyclohexyloxy-3-pyridinyl)methyl]-1-ethyl-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]guanidine;hydroiodide
CID 111706254
2-[(6-cyclohexyloxy-3-pyridinyl)methyl]-1-ethyl-3-(oxolan-2-ylmethyl)guanidine
CID 111139281
1-ethyl-2-[(4-methoxyphenyl)methyl]-3-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine
CID 111511763
2-[(6-cyclopentyloxy-3-pyridinyl)methyl]-1-ethyl-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111137082
2-[(6-cyclohexyloxy-3-pyridinyl)methyl]-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine
CID 111187727
2-[[4-(ethoxymethyl)phenyl]methyl]-1-ethyl-3-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine;hydroiodide
CID 111524163
2-[(6-cyclopentyloxy-3-pyridinyl)methyl]-1-ethyl-3-[(1-ethylpyrrolidin-2-yl)methyl]guanidine
CID 111261919
2-[(6-cyclohexyloxy-3-pyridinyl)methyl]-1-ethyl-3-(3-pyrazol-1-ylpropyl)guanidine
CID 111906347
1-ethyl-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-[(6-methoxy-3-pyridinyl)methyl]guanidine
CID 111535767

Frequently Asked Questions

What is the IUPAC name of 2-[(6-cyclohexyloxy-3-pyridinyl)methyl]-1-ethyl-3-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine?
The IUPAC name of 2-[(6-cyclohexyloxy-3-pyridinyl)methyl]-1-ethyl-3-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine (CID 111524378) is 2-[(6-cyclohexyloxy-3-pyridinyl)methyl]-1-ethyl-3-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine.
What is the SMILES notation for 2-[(6-cyclohexyloxy-3-pyridinyl)methyl]-1-ethyl-3-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine?
The canonical SMILES for 2-[(6-cyclohexyloxy-3-pyridinyl)methyl]-1-ethyl-3-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine is CCN/C(=N\Cc1ccc(OC2CCCCC2)nc1)NCc1ncc(C)s1.
What is the InChIKey of 2-[(6-cyclohexyloxy-3-pyridinyl)methyl]-1-ethyl-3-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine?
The InChIKey is LVDYTKQBWZZDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5OS/c1-3-21-20(25-14-19-23-11-15(2)27-19)24-13-16-9-10-18(22-12-16)26-17-7-5-4-6-8-17/h9-12,17H,3-8,13-14H2,1-2H3,(H2,21,24,25).
What are the key properties of 2-[(6-cyclohexyloxy-3-pyridinyl)methyl]-1-ethyl-3-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine?
2-[(6-cyclohexyloxy-3-pyridinyl)methyl]-1-ethyl-3-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine has a molecular weight of 387.55 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-cyclohexyloxy-3-pyridinyl)methyl]-1-ethyl-3-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine is sourced from PubChem (CID 111524378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).