2-[(2S,6R)-2,6-dimethyl-4-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethanol

C20H29N3OS — CID 146130495

IUPAC2-[(2S,6R)-2,6-dimethyl-4-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethanol
SMILESC[C@@H]1CN(Cc2csc(CCc3ccccc3)n2)C[C@H](C)N1CCO
InChIInChI=1S/C20H29N3OS/c1-16-12-22(13-17(2)23(16)10-11-24)14-19-15-25-20(21-19)9-8-18-6-4-3-5-7-18/h3-7,15-17,24H,8-14H2,1-2H3/t16-,17+
InChIKeyNCEQDRBSYYHJDE-CALCHBBNSA-N
MW359.54 g/mol
LogP2.82
Rot. Bonds7

About 2-[(2S,6R)-2,6-dimethyl-4-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethanol

2-[(2S,6R)-2,6-dimethyl-4-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethanol (PubChem CID 146130495) has the molecular formula C20H29N3OS and a molecular weight of 359.54 g/mol. Its IUPAC name is 2-[(2S,6R)-2,6-dimethyl-4-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[(2S,6R)-2,6-dimethyl-4-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethanol
PubChem CID146130495
Molecular FormulaC20H29N3OS
Molecular Weight359.54 g/mol
Exact Mass359.20
IUPAC Name2-[(2S,6R)-2,6-dimethyl-4-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethanol
SMILESC[C@@H]1CN(Cc2csc(CCc3ccccc3)n2)C[C@H](C)N1CCO
InChIInChI=1S/C20H29N3OS/c1-16-12-22(13-17(2)23(16)10-11-24)14-19-15-25-20(21-19)9-8-18-6-4-3-5-7-18/h3-7,15-17,24H,8-14H2,1-2H3/t16-,17+
InChIKeyNCEQDRBSYYHJDE-CALCHBBNSA-N
XLogP2.82
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.54
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(2S,6R)-2,6-dimethyl-4-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethanol with MolForge

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Related Compounds

5-methyl-1-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]piperidine-3-carboxylic acid
CID 122120995
N-methyl-1-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]piperidin-3-amine;dihydrochloride
CID 119918423
1-[4-[[(3R,5S)-3,5-dimethyl-4-(2-phenylethyl)piperazin-1-yl]methyl]phenyl]-2-hydroxyethanone
CID 158824822
CID 152706902
CID 152706902
4-[(3,5-dimethylpiperazin-1-yl)methyl]-2-propyl-1,3-thiazole
CID 63874067
(3S,4R)-4-phenyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-amine;dihydrochloride
CID 120761556
(2S)-4-methyl-N-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]morpholine-2-carboxamide
CID 96784696
3-methyl-N-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]morpholine-4-carboxamide
CID 71859638
2-[2-methyl-4-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethanol
CID 146128587
(3S,4S)-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-methylpyrrolidine-3-carboxylic acid
CID 98534340
(1,4-dibenzyl-6-methylpiperazin-2-yl)methanol
CID 135137500
2-[4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]ethanamine
CID 66387478

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,6R)-2,6-dimethyl-4-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[(2S,6R)-2,6-dimethyl-4-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethanol (CID 146130495) is 2-[(2S,6R)-2,6-dimethyl-4-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[(2S,6R)-2,6-dimethyl-4-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[(2S,6R)-2,6-dimethyl-4-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethanol is C[C@@H]1CN(Cc2csc(CCc3ccccc3)n2)C[C@H](C)N1CCO.
What is the InChIKey of 2-[(2S,6R)-2,6-dimethyl-4-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethanol?
The InChIKey is NCEQDRBSYYHJDE-CALCHBBNSA-N. The full InChI is InChI=1S/C20H29N3OS/c1-16-12-22(13-17(2)23(16)10-11-24)14-19-15-25-20(21-19)9-8-18-6-4-3-5-7-18/h3-7,15-17,24H,8-14H2,1-2H3/t16-,17+.
What are the key properties of 2-[(2S,6R)-2,6-dimethyl-4-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethanol?
2-[(2S,6R)-2,6-dimethyl-4-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethanol has a molecular weight of 359.54 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,6R)-2,6-dimethyl-4-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 146130495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).