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

C17H22FN3OS — CID 29024938

IUPAC2-[(2S)-1-[(2-fluorophenyl)methyl]-4-(1,3-thiazol-2-ylmethyl)piperazin-2-yl]ethanol
SMILESOCC[C@H]1CN(Cc2nccs2)CCN1Cc1ccccc1F
InChIInChI=1S/C17H22FN3OS/c18-16-4-2-1-3-14(16)11-21-8-7-20(12-15(21)5-9-22)13-17-19-6-10-23-17/h1-4,6,10,15,22H,5,7-9,11-13H2/t15-/m0/s1
InChIKeyYOABPWHFKKVZCT-HNNXBMFYSA-N
MW335.45 g/mol
LogP2.35
Rot. Bonds6

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

2-[(2S)-1-[(2-fluorophenyl)methyl]-4-(1,3-thiazol-2-ylmethyl)piperazin-2-yl]ethanol (PubChem CID 29024938) has the molecular formula C17H22FN3OS and a molecular weight of 335.45 g/mol. Its IUPAC name is 2-[(2S)-1-[(2-fluorophenyl)methyl]-4-(1,3-thiazol-2-ylmethyl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2S)-1-[(2-fluorophenyl)methyl]-4-(1,3-thiazol-2-ylmethyl)piperazin-2-yl]ethanol
PubChem CID29024938
Molecular FormulaC17H22FN3OS
Molecular Weight335.45 g/mol
Exact Mass335.15
IUPAC Name2-[(2S)-1-[(2-fluorophenyl)methyl]-4-(1,3-thiazol-2-ylmethyl)piperazin-2-yl]ethanol
SMILESOCC[C@H]1CN(Cc2nccs2)CCN1Cc1ccccc1F
InChIInChI=1S/C17H22FN3OS/c18-16-4-2-1-3-14(16)11-21-8-7-20(12-15(21)5-9-22)13-17-19-6-10-23-17/h1-4,6,10,15,22H,5,7-9,11-13H2/t15-/m0/s1
InChIKeyYOABPWHFKKVZCT-HNNXBMFYSA-N
XLogP2.35
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-[(2-fluorophenyl)methyl]-4-(1,3-thiazol-2-ylmethyl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[(2S)-1-[(2-fluorophenyl)methyl]-4-(1,3-thiazol-2-ylmethyl)piperazin-2-yl]ethanol (CID 29024938) is 2-[(2S)-1-[(2-fluorophenyl)methyl]-4-(1,3-thiazol-2-ylmethyl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2S)-1-[(2-fluorophenyl)methyl]-4-(1,3-thiazol-2-ylmethyl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2S)-1-[(2-fluorophenyl)methyl]-4-(1,3-thiazol-2-ylmethyl)piperazin-2-yl]ethanol is OCC[C@H]1CN(Cc2nccs2)CCN1Cc1ccccc1F.
What is the InChIKey of 2-[(2S)-1-[(2-fluorophenyl)methyl]-4-(1,3-thiazol-2-ylmethyl)piperazin-2-yl]ethanol?
The InChIKey is YOABPWHFKKVZCT-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H22FN3OS/c18-16-4-2-1-3-14(16)11-21-8-7-20(12-15(21)5-9-22)13-17-19-6-10-23-17/h1-4,6,10,15,22H,5,7-9,11-13H2/t15-/m0/s1.
What are the key properties of 2-[(2S)-1-[(2-fluorophenyl)methyl]-4-(1,3-thiazol-2-ylmethyl)piperazin-2-yl]ethanol?
2-[(2S)-1-[(2-fluorophenyl)methyl]-4-(1,3-thiazol-2-ylmethyl)piperazin-2-yl]ethanol has a molecular weight of 335.45 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-[(2-fluorophenyl)methyl]-4-(1,3-thiazol-2-ylmethyl)piperazin-2-yl]ethanol is sourced from PubChem (CID 29024938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).