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

C20H24N4OS — CID 72890911

IUPAC4-[[2-[1-(2-phenoxyethyl)piperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole
SMILESc1ccc(OCCN2CCCC(c3nccn3Cc3cscn3)C2)cc1
InChIInChI=1S/C20H24N4OS/c1-2-6-19(7-3-1)25-12-11-23-9-4-5-17(13-23)20-21-8-10-24(20)14-18-15-26-16-22-18/h1-3,6-8,10,15-17H,4-5,9,11-14H2
InChIKeyMZZZOCUHUFDVPR-UHFFFAOYSA-N
MW368.51 g/mol
LogP3.65
Rot. Bonds7

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

4-[[2-[1-(2-phenoxyethyl)piperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole (PubChem CID 72890911) has the molecular formula C20H24N4OS and a molecular weight of 368.51 g/mol. Its IUPAC name is 4-[[2-[1-(2-phenoxyethyl)piperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[[2-[1-(2-phenoxyethyl)piperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole
PubChem CID72890911
Molecular FormulaC20H24N4OS
Molecular Weight368.51 g/mol
Exact Mass368.17
IUPAC Name4-[[2-[1-(2-phenoxyethyl)piperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole
SMILESc1ccc(OCCN2CCCC(c3nccn3Cc3cscn3)C2)cc1
InChIInChI=1S/C20H24N4OS/c1-2-6-19(7-3-1)25-12-11-23-9-4-5-17(13-23)20-21-8-10-24(20)14-18-15-26-16-22-18/h1-3,6-8,10,15-17H,4-5,9,11-14H2
InChIKeyMZZZOCUHUFDVPR-UHFFFAOYSA-N
XLogP3.65
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.51
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[2-[1-(2-phenoxyethyl)piperidin-4-yl]imidazol-1-yl]methyl]-1,3-thiazole
CID 70771001
4-[[2-[(3S)-1-pyridin-4-ylpiperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole
CID 97202045
N,N-dimethyl-2-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]acetamide
CID 97188445
N,N-dimethyl-2-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]acetamide
CID 97188446
4-[[2-[(3R)-1-quinoxalin-2-ylpiperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole
CID 97282493
2-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-1,3-benzothiazole
CID 97280397
4-[[2-[1-(3-fluoro-4-pyridinyl)piperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole
CID 72901239
2-(2-methylphenyl)-1-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
CID 97278410
2-(2-fluorophenyl)-1-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
CID 97272135
(3-hydroxy-2-pyridinyl)-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97205216
3-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]benzonitrile
CID 97275163
(3R)-N-cyclohexyl-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidine-1-carboxamide
CID 97187985

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[1-(2-phenoxyethyl)piperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 4-[[2-[1-(2-phenoxyethyl)piperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole (CID 72890911) is 4-[[2-[1-(2-phenoxyethyl)piperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 4-[[2-[1-(2-phenoxyethyl)piperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 4-[[2-[1-(2-phenoxyethyl)piperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole is c1ccc(OCCN2CCCC(c3nccn3Cc3cscn3)C2)cc1.
What is the InChIKey of 4-[[2-[1-(2-phenoxyethyl)piperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole?
The InChIKey is MZZZOCUHUFDVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4OS/c1-2-6-19(7-3-1)25-12-11-23-9-4-5-17(13-23)20-21-8-10-24(20)14-18-15-26-16-22-18/h1-3,6-8,10,15-17H,4-5,9,11-14H2.
What are the key properties of 4-[[2-[1-(2-phenoxyethyl)piperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole?
4-[[2-[1-(2-phenoxyethyl)piperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole has a molecular weight of 368.51 g/mol, XLogP of 3.65, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[1-(2-phenoxyethyl)piperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 72890911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).