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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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).