1-ethyl-3-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide

C15H26IN5OS — CID 111524419

IUPAC1-ethyl-3-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide
SMILESCCN/C(=N\CC(=O)N1CCCCC1)NCc1ncc(C)s1.I
InChIInChI=1S/C15H25N5OS.HI/c1-3-16-15(18-10-13-17-9-12(2)22-13)19-11-14(21)20-7-5-4-6-8-20;/h9H,3-8,10-11H2,1-2H3,(H2,16,18,19);1H
InChIKeyKCMYPRAZYGKLGD-UHFFFAOYSA-N
MW451.38 g/mol
LogP2.14
Rot. Bonds5

About 1-ethyl-3-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide

1-ethyl-3-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide (PubChem CID 111524419) has the molecular formula C15H26IN5OS and a molecular weight of 451.38 g/mol. Its IUPAC name is 1-ethyl-3-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-3-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide
PubChem CID111524419
Molecular FormulaC15H26IN5OS
Molecular Weight451.38 g/mol
Exact Mass451.09
IUPAC Name1-ethyl-3-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide
SMILESCCN/C(=N\CC(=O)N1CCCCC1)NCc1ncc(C)s1.I
InChIInChI=1S/C15H25N5OS.HI/c1-3-16-15(18-10-13-17-9-12(2)22-13)19-11-14(21)20-7-5-4-6-8-20;/h9H,3-8,10-11H2,1-2H3,(H2,16,18,19);1H
InChIKeyKCMYPRAZYGKLGD-UHFFFAOYSA-N
XLogP2.14
TPSA69.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.38
LogP ≤ 52.14
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-3-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]guanidine;hydroiodide
CID 111523937
1-ethyl-3-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]guanidine
CID 111523938
2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-ethyl-3-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine;hydroiodide
CID 111525159
1-ethyl-3-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111532840
N-cyclopropyl-2-[[ethylamino-[(5-methyl-1,3-thiazol-2-yl)methylamino]methylidene]amino]acetamide
CID 111524852
1-ethyl-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]guanidine
CID 111535060
1-ethyl-3-(2-oxo-2-piperidin-1-ylethyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 111929192
4-[2-(azepan-1-yl)-2-oxoethyl]-N'-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboximidamide
CID 111520823
1-ethyl-2-methyl-3-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine
CID 111522316
1-ethyl-3-(2-methylpropyl)-2-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111178729
4-[[[ethylamino-[(5-methyl-1,3-thiazol-2-yl)methylamino]methylidene]amino]methyl]benzamide;hydroiodide
CID 111524449
1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 119139825

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide?
The IUPAC name of 1-ethyl-3-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide (CID 111524419) is 1-ethyl-3-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-3-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-3-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide is CCN/C(=N\CC(=O)N1CCCCC1)NCc1ncc(C)s1.I.
What is the InChIKey of 1-ethyl-3-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide?
The InChIKey is KCMYPRAZYGKLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5OS.HI/c1-3-16-15(18-10-13-17-9-12(2)22-13)19-11-14(21)20-7-5-4-6-8-20;/h9H,3-8,10-11H2,1-2H3,(H2,16,18,19);1H.
What are the key properties of 1-ethyl-3-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide?
1-ethyl-3-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide has a molecular weight of 451.38 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide is sourced from PubChem (CID 111524419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).