N-ethyl-N'-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-8-oxa-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide

C18H31IN4OS — CID 119157407

IUPACN-ethyl-N'-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-8-oxa-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCc1ncc(CC)s1)N1CCC2(CCOCC2)C1.I
InChIInChI=1S/C18H30N4OS.HI/c1-3-15-13-21-16(24-15)5-9-20-17(19-4-2)22-10-6-18(14-22)7-11-23-12-8-18;/h13H,3-12,14H2,1-2H3,(H,19,20);1H
InChIKeyZEUDYCXMVINWOS-UHFFFAOYSA-N
MW478.44 g/mol
LogP3.33
Rot. Bonds5

About N-ethyl-N'-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-8-oxa-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide

N-ethyl-N'-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-8-oxa-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide (PubChem CID 119157407) has the molecular formula C18H31IN4OS and a molecular weight of 478.44 g/mol. Its IUPAC name is N-ethyl-N'-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-8-oxa-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-ethyl-N'-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-8-oxa-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
PubChem CID119157407
Molecular FormulaC18H31IN4OS
Molecular Weight478.44 g/mol
Exact Mass478.13
IUPAC NameN-ethyl-N'-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-8-oxa-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCc1ncc(CC)s1)N1CCC2(CCOCC2)C1.I
InChIInChI=1S/C18H30N4OS.HI/c1-3-15-13-21-16(24-15)5-9-20-17(19-4-2)22-10-6-18(14-22)7-11-23-12-8-18;/h13H,3-12,14H2,1-2H3,(H,19,20);1H
InChIKeyZEUDYCXMVINWOS-UHFFFAOYSA-N
XLogP3.33
TPSA49.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.44
LogP ≤ 53.33
H-Bond Donors ≤ 51
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'}

Analyze N-ethyl-N'-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-8-oxa-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-N'-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]-8-oxa-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 119157395
4-acetyl-N-ethyl-N'-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]piperazine-1-carboximidamide
CID 111493554
N-ethyl-N'-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-(2-methylpropyl)piperazine-1-carboximidamide;hydroiodide
CID 111516146
N-ethyl-N'-(2-prop-2-ynylsulfanylethyl)-8-oxa-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 119160819
N-ethyl-N'-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2-dimethylthiomorpholine-4-carboximidamide;hydroiodide
CID 109489426
N-ethyl-N'-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboximidamide
CID 111518397
N-ethyl-N'-[(5-ethyl-1,3-thiazol-2-yl)methyl]pyrrolidine-1-carboximidamide
CID 111493048
N-ethyl-N'-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2-dimethylthiomorpholine-4-carboximidamide
CID 109489427
N-ethyl-N'-[(1-hydroxycyclohexyl)methyl]-8-oxa-2-azaspiro[4.5]decane-2-carboximidamide
CID 119152849
N-ethyl-N'-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 111744855
N-ethyl-N'-(3,3,3-trifluoro-2-hydroxypropyl)-8-oxa-2-azaspiro[4.5]decane-2-carboximidamide
CID 119154372
N-ethyl-N'-[[2-(4-methylphenyl)oxan-3-yl]methyl]-8-oxa-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 119160801

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-8-oxa-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide?
The IUPAC name of N-ethyl-N'-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-8-oxa-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide (CID 119157407) is N-ethyl-N'-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-8-oxa-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide.
What is the SMILES notation for N-ethyl-N'-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-8-oxa-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide?
The canonical SMILES for N-ethyl-N'-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-8-oxa-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide is CCN/C(=N\CCc1ncc(CC)s1)N1CCC2(CCOCC2)C1.I.
What is the InChIKey of N-ethyl-N'-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-8-oxa-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide?
The InChIKey is ZEUDYCXMVINWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4OS.HI/c1-3-15-13-21-16(24-15)5-9-20-17(19-4-2)22-10-6-18(14-22)7-11-23-12-8-18;/h13H,3-12,14H2,1-2H3,(H,19,20);1H.
What are the key properties of N-ethyl-N'-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-8-oxa-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide?
N-ethyl-N'-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-8-oxa-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide has a molecular weight of 478.44 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-8-oxa-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide is sourced from PubChem (CID 119157407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).