2-[3-[[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]methyl]phenoxy]ethanol

C23H27N3O2S — CID 165425653

IUPAC2-[3-[[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]methyl]phenoxy]ethanol
SMILESNc1nc(C2(c3ccccc3)CCN(Cc3cccc(OCCO)c3)CC2)cs1
InChIInChI=1S/C23H27N3O2S/c24-22-25-21(17-29-22)23(19-6-2-1-3-7-19)9-11-26(12-10-23)16-18-5-4-8-20(15-18)28-14-13-27/h1-8,15,17,27H,9-14,16H2,(H2,24,25)
InChIKeyMLBCJMBFODDDCH-UHFFFAOYSA-N
MW409.56 g/mol
LogP3.68
Rot. Bonds7

About 2-[3-[[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]methyl]phenoxy]ethanol

2-[3-[[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]methyl]phenoxy]ethanol (PubChem CID 165425653) has the molecular formula C23H27N3O2S and a molecular weight of 409.56 g/mol. Its IUPAC name is 2-[3-[[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]methyl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[3-[[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]methyl]phenoxy]ethanol
PubChem CID165425653
Molecular FormulaC23H27N3O2S
Molecular Weight409.56 g/mol
Exact Mass409.18
IUPAC Name2-[3-[[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]methyl]phenoxy]ethanol
SMILESNc1nc(C2(c3ccccc3)CCN(Cc3cccc(OCCO)c3)CC2)cs1
InChIInChI=1S/C23H27N3O2S/c24-22-25-21(17-29-22)23(19-6-2-1-3-7-19)9-11-26(12-10-23)16-18-5-4-8-20(15-18)28-14-13-27/h1-8,15,17,27H,9-14,16H2,(H2,24,25)
InChIKeyMLBCJMBFODDDCH-UHFFFAOYSA-N
XLogP3.68
TPSA71.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.56
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[3-[[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]methyl]phenoxy]ethanol with MolForge

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Related Compounds

2-methyl-4-[1-[(6-methyl-3-pyridinyl)methyl]-4-phenylpiperidin-4-yl]-1,3-thiazole
CID 165420034
(2-amino-1,3-thiazol-5-yl)-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]methanone
CID 165426176
2-[4-[[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]methyl]phenyl]ethanamine
CID 165423845
1-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-3-pyrazin-2-ylpropan-1-one
CID 165426837
1-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-[2-methoxyethyl(methyl)amino]ethanone
CID 165427482
(3R,4R)-1-[[3-(2-hydroxyethoxy)phenyl]methyl]-4-methyl-3-propan-2-ylpyrrolidin-3-ol
CID 86283734
ethyl 1-[[3-(2-hydroxyethoxy)phenyl]methyl]-3-(2-phenoxyethyl)piperidine-3-carboxylate
CID 45197896
2-[3-[[4-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methyl]phenoxy]ethanol
CID 56893383
(5S,6S)-8-[[3-(2-hydroxyethoxy)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-6-ol
CID 110156656
(3-amino-1H-pyrazol-5-yl)-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]methanone
CID 165418796
2-[3-(9-oxa-2-azaspiro[5.5]undecan-2-ylmethyl)phenoxy]ethanol
CID 74233599
[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(2,4-difluorophenyl)methanone
CID 165419776

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]methyl]phenoxy]ethanol?
The IUPAC name of 2-[3-[[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]methyl]phenoxy]ethanol (CID 165425653) is 2-[3-[[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]methyl]phenoxy]ethanol.
What is the SMILES notation for 2-[3-[[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]methyl]phenoxy]ethanol?
The canonical SMILES for 2-[3-[[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]methyl]phenoxy]ethanol is Nc1nc(C2(c3ccccc3)CCN(Cc3cccc(OCCO)c3)CC2)cs1.
What is the InChIKey of 2-[3-[[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]methyl]phenoxy]ethanol?
The InChIKey is MLBCJMBFODDDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2S/c24-22-25-21(17-29-22)23(19-6-2-1-3-7-19)9-11-26(12-10-23)16-18-5-4-8-20(15-18)28-14-13-27/h1-8,15,17,27H,9-14,16H2,(H2,24,25).
What are the key properties of 2-[3-[[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]methyl]phenoxy]ethanol?
2-[3-[[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]methyl]phenoxy]ethanol has a molecular weight of 409.56 g/mol, XLogP of 3.68, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]methyl]phenoxy]ethanol is sourced from PubChem (CID 165425653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).