1-ethyl-2-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(2-methyl-2-piperidin-1-ylpropyl)guanidine

C18H33N5S — CID 111832837

IUPAC1-ethyl-2-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(2-methyl-2-piperidin-1-ylpropyl)guanidine
SMILESCCN/C(=N\Cc1csc(CC)n1)NCC(C)(C)N1CCCCC1
InChIInChI=1S/C18H33N5S/c1-5-16-22-15(13-24-16)12-20-17(19-6-2)21-14-18(3,4)23-10-8-7-9-11-23/h13H,5-12,14H2,1-4H3,(H2,19,20,21)
InChIKeyGXPUKXPZNXCWBF-UHFFFAOYSA-N
MW351.56 g/mol
LogP3.03
Rot. Bonds7

About 1-ethyl-2-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(2-methyl-2-piperidin-1-ylpropyl)guanidine

1-ethyl-2-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(2-methyl-2-piperidin-1-ylpropyl)guanidine (PubChem CID 111832837) has the molecular formula C18H33N5S and a molecular weight of 351.56 g/mol. Its IUPAC name is 1-ethyl-2-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(2-methyl-2-piperidin-1-ylpropyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(2-methyl-2-piperidin-1-ylpropyl)guanidine
PubChem CID111832837
Molecular FormulaC18H33N5S
Molecular Weight351.56 g/mol
Exact Mass351.25
IUPAC Name1-ethyl-2-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(2-methyl-2-piperidin-1-ylpropyl)guanidine
SMILESCCN/C(=N\Cc1csc(CC)n1)NCC(C)(C)N1CCCCC1
InChIInChI=1S/C18H33N5S/c1-5-16-22-15(13-24-16)12-20-17(19-6-2)21-14-18(3,4)23-10-8-7-9-11-23/h13H,5-12,14H2,1-4H3,(H2,19,20,21)
InChIKeyGXPUKXPZNXCWBF-UHFFFAOYSA-N
XLogP3.03
TPSA52.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.56
LogP ≤ 53.03
H-Bond Donors ≤ 52
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

1-ethyl-3-(2-methyl-2-piperidin-1-ylpropyl)-2-[(6-methyl-2-pyridinyl)methyl]guanidine
CID 111321094
1-ethyl-2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-(2-methyl-2-piperidin-1-ylpropyl)guanidine;hydroiodide
CID 111515570
1-ethyl-3-(2-methyl-2-piperidin-1-ylpropyl)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine
CID 111320116
2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-ethyl-3-(2-methyl-2-piperidin-1-ylpropyl)guanidine;hydroiodide
CID 111775009
1-ethyl-3-(2-methyl-2-morpholin-4-ylpropyl)-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide
CID 111837993
1-ethyl-3-(2-methyl-2-morpholin-4-ylpropyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide
CID 111314203
1-ethyl-3-(2-methyl-2-piperidin-1-ylpropyl)-2-[(1-methylpyrazol-4-yl)methyl]guanidine;hydroiodide
CID 111321221
1-ethyl-3-(2-methyl-2-piperidin-1-ylpropyl)-2-(1H-pyrazol-5-ylmethyl)guanidine
CID 111320616
1-ethyl-3-(2-methyl-2-piperidin-1-ylpropyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]guanidine
CID 111320572
1-ethyl-2-(2-methyl-2-piperidin-1-ylpropyl)-3-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide
CID 111830456
1-ethyl-3-(2-methyl-2-piperidin-1-ylpropyl)-2-[(4-morpholin-4-ylphenyl)methyl]guanidine;hydroiodide
CID 111320725
4-[[[ethylamino-[(2-methyl-2-piperidin-1-ylpropyl)amino]methylidene]amino]methyl]benzamide
CID 111320298

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(2-methyl-2-piperidin-1-ylpropyl)guanidine?
The IUPAC name of 1-ethyl-2-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(2-methyl-2-piperidin-1-ylpropyl)guanidine (CID 111832837) is 1-ethyl-2-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(2-methyl-2-piperidin-1-ylpropyl)guanidine.
What is the SMILES notation for 1-ethyl-2-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(2-methyl-2-piperidin-1-ylpropyl)guanidine?
The canonical SMILES for 1-ethyl-2-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(2-methyl-2-piperidin-1-ylpropyl)guanidine is CCN/C(=N\Cc1csc(CC)n1)NCC(C)(C)N1CCCCC1.
What is the InChIKey of 1-ethyl-2-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(2-methyl-2-piperidin-1-ylpropyl)guanidine?
The InChIKey is GXPUKXPZNXCWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N5S/c1-5-16-22-15(13-24-16)12-20-17(19-6-2)21-14-18(3,4)23-10-8-7-9-11-23/h13H,5-12,14H2,1-4H3,(H2,19,20,21).
What are the key properties of 1-ethyl-2-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(2-methyl-2-piperidin-1-ylpropyl)guanidine?
1-ethyl-2-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(2-methyl-2-piperidin-1-ylpropyl)guanidine has a molecular weight of 351.56 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(2-methyl-2-piperidin-1-ylpropyl)guanidine is sourced from PubChem (CID 111832837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).