4-ethoxy-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N'-methylpiperidine-1-carboximidamide

C15H23N5OS — CID 111959393

IUPAC4-ethoxy-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N'-methylpiperidine-1-carboximidamide
SMILESCCOC1CCN(/C(=N\C)NCc2cn3ccsc3n2)CC1
InChIInChI=1S/C15H23N5OS/c1-3-21-13-4-6-19(7-5-13)14(16-2)17-10-12-11-20-8-9-22-15(20)18-12/h8-9,11,13H,3-7,10H2,1-2H3,(H,16,17)
InChIKeyHXFSZFWBACJBPP-UHFFFAOYSA-N
MW321.45 g/mol
LogP1.97
Rot. Bonds4

About 4-ethoxy-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N'-methylpiperidine-1-carboximidamide

4-ethoxy-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N'-methylpiperidine-1-carboximidamide (PubChem CID 111959393) has the molecular formula C15H23N5OS and a molecular weight of 321.45 g/mol. Its IUPAC name is 4-ethoxy-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N'-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound Name4-ethoxy-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N'-methylpiperidine-1-carboximidamide
PubChem CID111959393
Molecular FormulaC15H23N5OS
Molecular Weight321.45 g/mol
Exact Mass321.16
IUPAC Name4-ethoxy-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N'-methylpiperidine-1-carboximidamide
SMILESCCOC1CCN(/C(=N\C)NCc2cn3ccsc3n2)CC1
InChIInChI=1S/C15H23N5OS/c1-3-21-13-4-6-19(7-5-13)14(16-2)17-10-12-11-20-8-9-22-15(20)18-12/h8-9,11,13H,3-7,10H2,1-2H3,(H,16,17)
InChIKeyHXFSZFWBACJBPP-UHFFFAOYSA-N
XLogP1.97
TPSA54.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

4-benzyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N'-methylpiperidine-1-carboximidamide
CID 111152758
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N'-methyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
CID 111723706
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N'-methyl-4-phenylpiperazine-1-carboximidamide;hydroiodide
CID 110961456
4-(2-hydroxyphenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111185443
4-ethoxy-N-[(6-methoxy-2-pyridinyl)methyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 111960864
N-[[6-(dimethylamino)-2-pyridinyl]methyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide
CID 109407252
4-ethoxy-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-N'-methylpiperidine-1-carboximidamide
CID 111959969
4-ethoxy-N'-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-1-carboximidamide
CID 111959237
N-[2-(3-ethoxycyclobutyl)ethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 126773652
ethyl 4-[N-ethyl-N'-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)carbamimidoyl]piperazine-1-carboxylate
CID 111163529
3-ethoxy-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,2-dimethylcyclobutan-1-amine
CID 103921091
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methyl-3-(2-methylcyclopropyl)guanidine
CID 111962171

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N'-methylpiperidine-1-carboximidamide?
The IUPAC name of 4-ethoxy-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N'-methylpiperidine-1-carboximidamide (CID 111959393) is 4-ethoxy-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N'-methylpiperidine-1-carboximidamide.
What is the SMILES notation for 4-ethoxy-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N'-methylpiperidine-1-carboximidamide?
The canonical SMILES for 4-ethoxy-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N'-methylpiperidine-1-carboximidamide is CCOC1CCN(/C(=N\C)NCc2cn3ccsc3n2)CC1.
What is the InChIKey of 4-ethoxy-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N'-methylpiperidine-1-carboximidamide?
The InChIKey is HXFSZFWBACJBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5OS/c1-3-21-13-4-6-19(7-5-13)14(16-2)17-10-12-11-20-8-9-22-15(20)18-12/h8-9,11,13H,3-7,10H2,1-2H3,(H,16,17).
What are the key properties of 4-ethoxy-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N'-methylpiperidine-1-carboximidamide?
4-ethoxy-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N'-methylpiperidine-1-carboximidamide has a molecular weight of 321.45 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N'-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 111959393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).