2-[(2S)-1-methyl-4-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperazin-2-yl]ethanol

C17H23N3OS — CID 92764625

IUPAC2-[(2S)-1-methyl-4-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperazin-2-yl]ethanol
SMILESCN1CCN(Cc2cnc(-c3ccccc3)s2)C[C@@H]1CCO
InChIInChI=1S/C17H23N3OS/c1-19-8-9-20(12-15(19)7-10-21)13-16-11-18-17(22-16)14-5-3-2-4-6-14/h2-6,11,15,21H,7-10,12-13H2,1H3/t15-/m0/s1
InChIKeySGLBBESDQYAYAS-HNNXBMFYSA-N
MW317.46 g/mol
LogP2.31
Rot. Bonds5

About 2-[(2S)-1-methyl-4-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperazin-2-yl]ethanol

2-[(2S)-1-methyl-4-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperazin-2-yl]ethanol (PubChem CID 92764625) has the molecular formula C17H23N3OS and a molecular weight of 317.46 g/mol. Its IUPAC name is 2-[(2S)-1-methyl-4-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2S)-1-methyl-4-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperazin-2-yl]ethanol
PubChem CID92764625
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC Name2-[(2S)-1-methyl-4-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperazin-2-yl]ethanol
SMILESCN1CCN(Cc2cnc(-c3ccccc3)s2)C[C@@H]1CCO
InChIInChI=1S/C17H23N3OS/c1-19-8-9-20(12-15(19)7-10-21)13-16-11-18-17(22-16)14-5-3-2-4-6-14/h2-6,11,15,21H,7-10,12-13H2,1H3/t15-/m0/s1
InChIKeySGLBBESDQYAYAS-HNNXBMFYSA-N
XLogP2.31
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2S)-4-[(2-phenyl-1,3-thiazol-5-yl)methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol
CID 28872070
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2-[1-methyl-4-[(4-phenylmethoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 45220474
2-[(2R)-4-[(3-benzylimidazol-4-yl)methyl]-1-methylpiperazin-2-yl]ethanol
CID 124852713
4-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-1-methylpiperazine-2-carboxylic acid
CID 135095144
2-[4-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-methylpiperazin-2-yl]ethanol
CID 45190547
2-[(2R)-4-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-methylpiperazin-2-yl]ethanol
CID 98575794
5-[(3-benzyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)methyl]-2-phenyl-1,3-thiazole
CID 42423475
2-[4-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]-1-methylpiperazin-2-yl]ethanol;2,2,2-trifluoroacetic acid
CID 154886299
2-[1-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]ethanol
CID 45213559
(2R)-2-(4-methyl-1,3-thiazol-2-yl)-4-[(2-phenyl-1,3-thiazol-5-yl)methyl]morpholine
CID 129403672
2-[(2R)-4-[[2-(1H-imidazol-2-yl)phenyl]methyl]-1-methylpiperazin-2-yl]ethanol
CID 98596791

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-methyl-4-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[(2S)-1-methyl-4-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperazin-2-yl]ethanol (CID 92764625) is 2-[(2S)-1-methyl-4-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2S)-1-methyl-4-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2S)-1-methyl-4-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperazin-2-yl]ethanol is CN1CCN(Cc2cnc(-c3ccccc3)s2)C[C@@H]1CCO.
What is the InChIKey of 2-[(2S)-1-methyl-4-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperazin-2-yl]ethanol?
The InChIKey is SGLBBESDQYAYAS-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H23N3OS/c1-19-8-9-20(12-15(19)7-10-21)13-16-11-18-17(22-16)14-5-3-2-4-6-14/h2-6,11,15,21H,7-10,12-13H2,1H3/t15-/m0/s1.
What are the key properties of 2-[(2S)-1-methyl-4-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperazin-2-yl]ethanol?
2-[(2S)-1-methyl-4-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperazin-2-yl]ethanol has a molecular weight of 317.46 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-methyl-4-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 92764625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).