2-[[4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]piperidin-1-yl]methyl]-1,3-thiazole

C18H28N4O2S — CID 3719755

IUPAC2-[[4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]piperidin-1-yl]methyl]-1,3-thiazole
SMILESCCOCCOCCn1ccnc1C1CCN(Cc2nccs2)CC1
InChIInChI=1S/C18H28N4O2S/c1-2-23-12-13-24-11-10-22-9-5-20-18(22)16-3-7-21(8-4-16)15-17-19-6-14-25-17/h5-6,9,14,16H,2-4,7-8,10-13,15H2,1H3
InChIKeyVEWHIFPVIMITBN-UHFFFAOYSA-N
MW364.52 g/mol
LogP2.77
Rot. Bonds10

About 2-[[4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]piperidin-1-yl]methyl]-1,3-thiazole

2-[[4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]piperidin-1-yl]methyl]-1,3-thiazole (PubChem CID 3719755) has the molecular formula C18H28N4O2S and a molecular weight of 364.52 g/mol. Its IUPAC name is 2-[[4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]piperidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[[4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]piperidin-1-yl]methyl]-1,3-thiazole
PubChem CID3719755
Molecular FormulaC18H28N4O2S
Molecular Weight364.52 g/mol
Exact Mass364.19
IUPAC Name2-[[4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]piperidin-1-yl]methyl]-1,3-thiazole
SMILESCCOCCOCCn1ccnc1C1CCN(Cc2nccs2)CC1
InChIInChI=1S/C18H28N4O2S/c1-2-23-12-13-24-11-10-22-9-5-20-18(22)16-3-7-21(8-4-16)15-17-19-6-14-25-17/h5-6,9,14,16H,2-4,7-8,10-13,15H2,1H3
InChIKeyVEWHIFPVIMITBN-UHFFFAOYSA-N
XLogP2.77
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.52
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[[4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]piperidin-1-yl]methyl]phenoxy]ethanol
CID 5015414
2-[[4-[1-[(3,4,5-trimethoxyphenyl)methyl]imidazol-2-yl]piperidin-1-yl]methyl]-1,3-thiazole
CID 3676593
[4-[4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]piperidine-1-carbonyl]phenyl]-phenylmethanone
CID 3867153
4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]-1-(4-propylphenyl)sulfonylpiperidine
CID 3419642
2-[[4-[1-(2-methoxyethyl)imidazol-2-yl]-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-1,3-thiazole
CID 131668827
2-[2-[1-(2-propoxyethyl)piperidin-4-yl]imidazol-1-yl]acetamide
CID 72891987
2,3-dihydro-1,4-benzodioxin-3-yl-[4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]piperidin-1-yl]methanone
CID 3312454
N,N-dimethyl-1-(1,3-thiazol-2-ylmethyl)piperidin-4-amine
CID 141061386
(1S)-3-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-1-phenylpropan-1-ol
CID 70746404
N-propan-2-yl-1-(1,3-thiazol-2-ylmethyl)piperidin-4-amine
CID 115752802
1-methyl-4-[1-[2-(2-methylimidazol-1-yl)ethyl]imidazol-2-yl]piperidine
CID 56861899
N-methyl-2-[2-(1-methylpiperidin-4-yl)imidazol-1-yl]ethanamine
CID 135170249

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]piperidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-[[4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]piperidin-1-yl]methyl]-1,3-thiazole (CID 3719755) is 2-[[4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]piperidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-[[4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]piperidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-[[4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]piperidin-1-yl]methyl]-1,3-thiazole is CCOCCOCCn1ccnc1C1CCN(Cc2nccs2)CC1.
What is the InChIKey of 2-[[4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]piperidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is VEWHIFPVIMITBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2S/c1-2-23-12-13-24-11-10-22-9-5-20-18(22)16-3-7-21(8-4-16)15-17-19-6-14-25-17/h5-6,9,14,16H,2-4,7-8,10-13,15H2,1H3.
What are the key properties of 2-[[4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]piperidin-1-yl]methyl]-1,3-thiazole?
2-[[4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]piperidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 364.52 g/mol, XLogP of 2.77, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]piperidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 3719755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).