1-ethyl-2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine

C19H35N5S — CID 111536183

IUPAC1-ethyl-2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine
SMILESCCN/C(=N\Cc1ncc(CC)s1)NCC(C)(C)N1CCCC(C)C1
InChIInChI=1S/C19H35N5S/c1-6-16-11-21-17(25-16)12-22-18(20-7-2)23-14-19(4,5)24-10-8-9-15(3)13-24/h11,15H,6-10,12-14H2,1-5H3,(H2,20,22,23)
InChIKeyGUSGLSKKLAFWDY-UHFFFAOYSA-N
MW365.59 g/mol
LogP3.27
Rot. Bonds7

About 1-ethyl-2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine

1-ethyl-2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine (PubChem CID 111536183) has the molecular formula C19H35N5S and a molecular weight of 365.59 g/mol. Its IUPAC name is 1-ethyl-2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine.

Molecular Properties

Compound Name1-ethyl-2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine
PubChem CID111536183
Molecular FormulaC19H35N5S
Molecular Weight365.59 g/mol
Exact Mass365.26
IUPAC Name1-ethyl-2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine
SMILESCCN/C(=N\Cc1ncc(CC)s1)NCC(C)(C)N1CCCC(C)C1
InChIInChI=1S/C19H35N5S/c1-6-16-11-21-17(25-16)12-22-18(20-7-2)23-14-19(4,5)24-10-8-9-15(3)13-24/h11,15H,6-10,12-14H2,1-5H3,(H2,20,22,23)
InChIKeyGUSGLSKKLAFWDY-UHFFFAOYSA-N
XLogP3.27
TPSA52.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.59
LogP ≤ 53.27
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-2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-(2-methyl-2-piperidin-1-ylpropyl)guanidine;hydroiodide
CID 111515570
1-ethyl-2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine
CID 111535348
1-ethyl-3-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine;hydroiodide
CID 111013308
1-cyclopentyl-3-ethyl-2-[(5-ethyl-1,3-thiazol-2-yl)methyl]guanidine
CID 111495840
4-[[[ethylamino-[[2-methyl-2-(3-methylpiperidin-1-yl)propyl]amino]methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide
CID 111875188
1-ethyl-2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[2-(4-methylpiperidin-1-yl)ethyl]guanidine;hydroiodide
CID 111535531
1-ethyl-2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[(1-propylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 111534331
1-cyclopropyl-3-ethyl-2-[(5-ethyl-1,3-thiazol-2-yl)methyl]guanidine
CID 111495600
1-ethyl-2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-(2-methyl-2-phenylpropyl)guanidine;hydroiodide
CID 111534907
1-ethyl-3-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-[2-(3-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111532276
1-ethyl-2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[2-(2-methoxyethoxy)ethyl]guanidine
CID 111534356
1-ethyl-2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-(2-methylpropyl)guanidine;hydroiodide
CID 111511692

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine?
The IUPAC name of 1-ethyl-2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine (CID 111536183) is 1-ethyl-2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine.
What is the SMILES notation for 1-ethyl-2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine?
The canonical SMILES for 1-ethyl-2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine is CCN/C(=N\Cc1ncc(CC)s1)NCC(C)(C)N1CCCC(C)C1.
What is the InChIKey of 1-ethyl-2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine?
The InChIKey is GUSGLSKKLAFWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N5S/c1-6-16-11-21-17(25-16)12-22-18(20-7-2)23-14-19(4,5)24-10-8-9-15(3)13-24/h11,15H,6-10,12-14H2,1-5H3,(H2,20,22,23).
What are the key properties of 1-ethyl-2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine?
1-ethyl-2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine has a molecular weight of 365.59 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine is sourced from PubChem (CID 111536183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).