N',3-dimethyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-3-propylpiperidine-1-carboximidamide

C18H32N4S — CID 109490282

IUPACN',3-dimethyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-3-propylpiperidine-1-carboximidamide
SMILESCCCC1(C)CCCN(/C(=N/C)NCCCc2nc(C)cs2)C1
InChIInChI=1S/C18H32N4S/c1-5-9-18(3)10-7-12-22(14-18)17(19-4)20-11-6-8-16-21-15(2)13-23-16/h13H,5-12,14H2,1-4H3,(H,19,20)
InChIKeyMGMSRYQWUKJCIA-UHFFFAOYSA-N
MW336.55 g/mol
LogP3.86
Rot. Bonds6

About N',3-dimethyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-3-propylpiperidine-1-carboximidamide

N',3-dimethyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-3-propylpiperidine-1-carboximidamide (PubChem CID 109490282) has the molecular formula C18H32N4S and a molecular weight of 336.55 g/mol. Its IUPAC name is N',3-dimethyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-3-propylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN',3-dimethyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-3-propylpiperidine-1-carboximidamide
PubChem CID109490282
Molecular FormulaC18H32N4S
Molecular Weight336.55 g/mol
Exact Mass336.23
IUPAC NameN',3-dimethyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-3-propylpiperidine-1-carboximidamide
SMILESCCCC1(C)CCCN(/C(=N/C)NCCCc2nc(C)cs2)C1
InChIInChI=1S/C18H32N4S/c1-5-9-18(3)10-7-12-22(14-18)17(19-4)20-11-6-8-16-21-15(2)13-23-16/h13H,5-12,14H2,1-4H3,(H,19,20)
InChIKeyMGMSRYQWUKJCIA-UHFFFAOYSA-N
XLogP3.86
TPSA40.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.55
LogP ≤ 53.86
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'-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2-azaspiro[4.5]decane-2-carboximidamide
CID 111744613
N',3-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-3-propylpiperidine-1-carboximidamide;hydroiodide
CID 109490291
N',4-dimethyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]piperidine-1-carboximidamide;hydroiodide
CID 111212148
N-ethyl-N',3-dimethyl-3-propylpiperidine-1-carboximidamide
CID 109490392
4-ethoxy-N'-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]piperidine-1-carboximidamide
CID 111960671
N'-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
CID 111723198
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
2-methyl-N-[2-[[N-methyl-C-(3-methyl-3-propylpiperidin-1-yl)carbonimidoyl]amino]ethyl]propanamide
CID 109490153
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',3-dimethyl-N-[3-(4-methyl-1,4-diazepan-1-yl)propyl]-3-propylpiperidine-1-carboximidamide;hydroiodide
CID 109490397
N-(2,2-difluoroethyl)-N',3-dimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide
CID 109490573
1-[4-[[N-methyl-C-(3-methyl-3-propylpiperidin-1-yl)carbonimidoyl]amino]butyl]piperidine-4-carboxamide;hydroiodide
CID 109490841

Frequently Asked Questions

What is the IUPAC name of N',3-dimethyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-3-propylpiperidine-1-carboximidamide?
The IUPAC name of N',3-dimethyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-3-propylpiperidine-1-carboximidamide (CID 109490282) is N',3-dimethyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-3-propylpiperidine-1-carboximidamide.
What is the SMILES notation for N',3-dimethyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-3-propylpiperidine-1-carboximidamide?
The canonical SMILES for N',3-dimethyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-3-propylpiperidine-1-carboximidamide is CCCC1(C)CCCN(/C(=N/C)NCCCc2nc(C)cs2)C1.
What is the InChIKey of N',3-dimethyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-3-propylpiperidine-1-carboximidamide?
The InChIKey is MGMSRYQWUKJCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4S/c1-5-9-18(3)10-7-12-22(14-18)17(19-4)20-11-6-8-16-21-15(2)13-23-16/h13H,5-12,14H2,1-4H3,(H,19,20).
What are the key properties of N',3-dimethyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-3-propylpiperidine-1-carboximidamide?
N',3-dimethyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-3-propylpiperidine-1-carboximidamide has a molecular weight of 336.55 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',3-dimethyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-3-propylpiperidine-1-carboximidamide is sourced from PubChem (CID 109490282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).