N'-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-azaspiro[4.5]decane-2-carboximidamide

C16H26N4S — CID 111745214

IUPACN'-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-azaspiro[4.5]decane-2-carboximidamide
SMILESC/N=C(\NCc1scnc1C)N1CCC2(CCCCC2)C1
InChIInChI=1S/C16H26N4S/c1-13-14(21-12-19-13)10-18-15(17-2)20-9-8-16(11-20)6-4-3-5-7-16/h12H,3-11H2,1-2H3,(H,17,18)
InChIKeyVUWSBXGSEIAAKG-UHFFFAOYSA-N
MW306.48 g/mol
LogP3.18
Rot. Bonds2

About N'-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-azaspiro[4.5]decane-2-carboximidamide

N'-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-azaspiro[4.5]decane-2-carboximidamide (PubChem CID 111745214) has the molecular formula C16H26N4S and a molecular weight of 306.48 g/mol. Its IUPAC name is N'-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-azaspiro[4.5]decane-2-carboximidamide.

Molecular Properties

Compound NameN'-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-azaspiro[4.5]decane-2-carboximidamide
PubChem CID111745214
Molecular FormulaC16H26N4S
Molecular Weight306.48 g/mol
Exact Mass306.19
IUPAC NameN'-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-azaspiro[4.5]decane-2-carboximidamide
SMILESC/N=C(\NCc1scnc1C)N1CCC2(CCCCC2)C1
InChIInChI=1S/C16H26N4S/c1-13-14(21-12-19-13)10-18-15(17-2)20-9-8-16(11-20)6-4-3-5-7-16/h12H,3-11H2,1-2H3,(H,17,18)
InChIKeyVUWSBXGSEIAAKG-UHFFFAOYSA-N
XLogP3.18
TPSA40.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N'-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 119115606
N'-methyl-N-(pyridin-2-ylmethyl)-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 111744951
N',4-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111210020
N'-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-azaspiro[4.5]decane-2-carboximidamide
CID 119145336
N'-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-piperidin-1-ylpyrrolidine-1-carboximidamide
CID 119143025
N',2,2,3,3-pentamethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]azetidine-1-carboximidamide;hydroiodide
CID 109452990
N'-methyl-N-[(6-methyl-2-pyridinyl)methyl]-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
CID 111733654
N-benzyl-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide
CID 111732747
N'-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboximidamide
CID 110947432
N-[(6-chloro-3-pyridinyl)methyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide
CID 111732551
N'-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2-azaspiro[4.5]decane-2-carboximidamide
CID 111744613
4-[[[C-(2-azaspiro[4.5]decan-2-yl)-N-methylcarbonimidoyl]amino]methyl]benzamide;hydroiodide
CID 111744431

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-azaspiro[4.5]decane-2-carboximidamide?
The IUPAC name of N'-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-azaspiro[4.5]decane-2-carboximidamide (CID 111745214) is N'-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-azaspiro[4.5]decane-2-carboximidamide.
What is the SMILES notation for N'-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-azaspiro[4.5]decane-2-carboximidamide?
The canonical SMILES for N'-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-azaspiro[4.5]decane-2-carboximidamide is C/N=C(\NCc1scnc1C)N1CCC2(CCCCC2)C1.
What is the InChIKey of N'-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-azaspiro[4.5]decane-2-carboximidamide?
The InChIKey is VUWSBXGSEIAAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4S/c1-13-14(21-12-19-13)10-18-15(17-2)20-9-8-16(11-20)6-4-3-5-7-16/h12H,3-11H2,1-2H3,(H,17,18).
What are the key properties of N'-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-azaspiro[4.5]decane-2-carboximidamide?
N'-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-azaspiro[4.5]decane-2-carboximidamide has a molecular weight of 306.48 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-azaspiro[4.5]decane-2-carboximidamide is sourced from PubChem (CID 111745214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).