N'-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2-azaspiro[4.5]decane-2-carboximidamide

C18H30N4S — CID 111744613

IUPACN'-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2-azaspiro[4.5]decane-2-carboximidamide
SMILESC/N=C(\NCCCc1nc(C)cs1)N1CCC2(CCCCC2)C1
InChIInChI=1S/C18H30N4S/c1-15-13-23-16(21-15)7-6-11-20-17(19-2)22-12-10-18(14-22)8-4-3-5-9-18/h13H,3-12,14H2,1-2H3,(H,19,20)
InChIKeyLOYZZGRYAISAMQ-UHFFFAOYSA-N
MW334.53 g/mol
LogP3.62
Rot. Bonds4

About N'-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2-azaspiro[4.5]decane-2-carboximidamide

N'-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2-azaspiro[4.5]decane-2-carboximidamide (PubChem CID 111744613) has the molecular formula C18H30N4S and a molecular weight of 334.53 g/mol. Its IUPAC name is N'-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2-azaspiro[4.5]decane-2-carboximidamide.

Molecular Properties

Compound NameN'-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2-azaspiro[4.5]decane-2-carboximidamide
PubChem CID111744613
Molecular FormulaC18H30N4S
Molecular Weight334.53 g/mol
Exact Mass334.22
IUPAC NameN'-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2-azaspiro[4.5]decane-2-carboximidamide
SMILESC/N=C(\NCCCc1nc(C)cs1)N1CCC2(CCCCC2)C1
InChIInChI=1S/C18H30N4S/c1-15-13-23-16(21-15)7-6-11-20-17(19-2)22-12-10-18(14-22)8-4-3-5-9-18/h13H,3-12,14H2,1-2H3,(H,19,20)
InChIKeyLOYZZGRYAISAMQ-UHFFFAOYSA-N
XLogP3.62
TPSA40.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.53
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N',3-dimethyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-3-propylpiperidine-1-carboximidamide
CID 109490282
N',4-dimethyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]piperidine-1-carboximidamide;hydroiodide
CID 111212148
N-butyl-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide
CID 111744345
4-ethoxy-N'-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]piperidine-1-carboximidamide
CID 111960671
N'-methyl-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide;hydroiodide
CID 109442890
N'-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109379296
N'-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
CID 111723198
N'-methyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 111745251
N'-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 111744445
N-[3-(dimethylamino)propyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
CID 111733640
N'-methyl-N-[(6-methyl-2-pyridinyl)methyl]-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
CID 111733654
N'-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-azaspiro[4.5]decane-2-carboximidamide
CID 111745214

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2-azaspiro[4.5]decane-2-carboximidamide?
The IUPAC name of N'-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2-azaspiro[4.5]decane-2-carboximidamide (CID 111744613) is N'-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2-azaspiro[4.5]decane-2-carboximidamide.
What is the SMILES notation for N'-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2-azaspiro[4.5]decane-2-carboximidamide?
The canonical SMILES for N'-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2-azaspiro[4.5]decane-2-carboximidamide is C/N=C(\NCCCc1nc(C)cs1)N1CCC2(CCCCC2)C1.
What is the InChIKey of N'-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2-azaspiro[4.5]decane-2-carboximidamide?
The InChIKey is LOYZZGRYAISAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4S/c1-15-13-23-16(21-15)7-6-11-20-17(19-2)22-12-10-18(14-22)8-4-3-5-9-18/h13H,3-12,14H2,1-2H3,(H,19,20).
What are the key properties of N'-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2-azaspiro[4.5]decane-2-carboximidamide?
N'-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2-azaspiro[4.5]decane-2-carboximidamide has a molecular weight of 334.53 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2-azaspiro[4.5]decane-2-carboximidamide is sourced from PubChem (CID 111744613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).