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

C20H24N4OS — CID 70771001

IUPAC4-[[2-[1-(2-phenoxyethyl)piperidin-4-yl]imidazol-1-yl]methyl]-1,3-thiazole
SMILESc1ccc(OCCN2CCC(c3nccn3Cc3cscn3)CC2)cc1
InChIInChI=1S/C20H24N4OS/c1-2-4-19(5-3-1)25-13-12-23-9-6-17(7-10-23)20-21-8-11-24(20)14-18-15-26-16-22-18/h1-5,8,11,15-17H,6-7,9-10,12-14H2
InChIKeyBPJQTHKTXSRHBU-UHFFFAOYSA-N
MW368.51 g/mol
LogP3.65
Rot. Bonds7

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

4-[[2-[1-(2-phenoxyethyl)piperidin-4-yl]imidazol-1-yl]methyl]-1,3-thiazole (PubChem CID 70771001) has the molecular formula C20H24N4OS and a molecular weight of 368.51 g/mol. Its IUPAC name is 4-[[2-[1-(2-phenoxyethyl)piperidin-4-yl]imidazol-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[[2-[1-(2-phenoxyethyl)piperidin-4-yl]imidazol-1-yl]methyl]-1,3-thiazole
PubChem CID70771001
Molecular FormulaC20H24N4OS
Molecular Weight368.51 g/mol
Exact Mass368.17
IUPAC Name4-[[2-[1-(2-phenoxyethyl)piperidin-4-yl]imidazol-1-yl]methyl]-1,3-thiazole
SMILESc1ccc(OCCN2CCC(c3nccn3Cc3cscn3)CC2)cc1
InChIInChI=1S/C20H24N4OS/c1-2-4-19(5-3-1)25-13-12-23-9-6-17(7-10-23)20-21-8-11-24(20)14-18-15-26-16-22-18/h1-5,8,11,15-17H,6-7,9-10,12-14H2
InChIKeyBPJQTHKTXSRHBU-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-3-yl]imidazol-1-yl]methyl]-1,3-thiazole
CID 72890911
4-[[2-(1-pyrimidin-2-ylpiperidin-4-yl)imidazol-1-yl]methyl]-1,3-thiazole
CID 70744946
4-methyl-5-[[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,3-thiazole
CID 72844706
(2R)-2-phenyl-1-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one
CID 97283623
(3-hydroxy-2-pyridinyl)-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 70745460
4-[[2-[(3S)-1-pyridin-4-ylpiperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole
CID 97202045
2-(5-methylpyrazol-1-yl)-1-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
CID 70787429
2-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-1,3-benzothiazole
CID 97280397
4-[[2-[(3R)-1-(5-methyl-2-pyridinyl)piperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole
CID 97284684
2-(tetrazol-1-yl)-1-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
CID 72872657
2-(2-fluorophenyl)-1-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
CID 97272135
2-(2-methylphenyl)-1-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
CID 97278410

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[1-(2-phenoxyethyl)piperidin-4-yl]imidazol-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 4-[[2-[1-(2-phenoxyethyl)piperidin-4-yl]imidazol-1-yl]methyl]-1,3-thiazole (CID 70771001) is 4-[[2-[1-(2-phenoxyethyl)piperidin-4-yl]imidazol-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 4-[[2-[1-(2-phenoxyethyl)piperidin-4-yl]imidazol-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 4-[[2-[1-(2-phenoxyethyl)piperidin-4-yl]imidazol-1-yl]methyl]-1,3-thiazole is c1ccc(OCCN2CCC(c3nccn3Cc3cscn3)CC2)cc1.
What is the InChIKey of 4-[[2-[1-(2-phenoxyethyl)piperidin-4-yl]imidazol-1-yl]methyl]-1,3-thiazole?
The InChIKey is BPJQTHKTXSRHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4OS/c1-2-4-19(5-3-1)25-13-12-23-9-6-17(7-10-23)20-21-8-11-24(20)14-18-15-26-16-22-18/h1-5,8,11,15-17H,6-7,9-10,12-14H2.
What are the key properties of 4-[[2-[1-(2-phenoxyethyl)piperidin-4-yl]imidazol-1-yl]methyl]-1,3-thiazole?
4-[[2-[1-(2-phenoxyethyl)piperidin-4-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-4-yl]imidazol-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 70771001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).