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

C21H31N3OS — CID 93233357

IUPAC2-[(2R)-1-(3-methylbutyl)-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-2-yl]ethanol
SMILESCC(C)CCN1CCN(Cc2nc(-c3ccccc3)cs2)C[C@H]1CCO
InChIInChI=1S/C21H31N3OS/c1-17(2)8-10-24-12-11-23(14-19(24)9-13-25)15-21-22-20(16-26-21)18-6-4-3-5-7-18/h3-7,16-17,19,25H,8-15H2,1-2H3/t19-/m1/s1
InChIKeyJIUKJZYANVENLE-LJQANCHMSA-N
MW373.57 g/mol
LogP3.72
Rot. Bonds8

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

2-[(2R)-1-(3-methylbutyl)-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-2-yl]ethanol (PubChem CID 93233357) has the molecular formula C21H31N3OS and a molecular weight of 373.57 g/mol. Its IUPAC name is 2-[(2R)-1-(3-methylbutyl)-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2R)-1-(3-methylbutyl)-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-2-yl]ethanol
PubChem CID93233357
Molecular FormulaC21H31N3OS
Molecular Weight373.57 g/mol
Exact Mass373.22
IUPAC Name2-[(2R)-1-(3-methylbutyl)-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-2-yl]ethanol
SMILESCC(C)CCN1CCN(Cc2nc(-c3ccccc3)cs2)C[C@H]1CCO
InChIInChI=1S/C21H31N3OS/c1-17(2)8-10-24-12-11-23(14-19(24)9-13-25)15-21-22-20(16-26-21)18-6-4-3-5-7-18/h3-7,16-17,19,25H,8-15H2,1-2H3/t19-/m1/s1
InChIKeyJIUKJZYANVENLE-LJQANCHMSA-N
XLogP3.72
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.57
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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2-[(2S)-1-(3-methylbutyl)-4-(3-phenylprop-2-ynyl)piperazin-2-yl]ethanol
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(7S,9aR)-8-methyl-7-(2-methylpropyl)-2-[(4-phenyl-1,3-thiazol-2-yl)methyl]-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
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2-[4-(1H-indol-3-ylmethyl)-1-(3-methylbutyl)piperazin-2-yl]ethanol
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2-[(4-ethyl-1,4-diazepan-1-yl)methyl]-4-phenyl-1,3-thiazole;methane
CID 158416700
2-[4-[(2,3-dimethoxyphenyl)methyl]-1-(3-methylbutyl)piperazin-2-yl]ethanol
CID 45201049
1-[3-[[(3S)-3-(2-hydroxyethyl)-4-(3-methylbutyl)piperazin-1-yl]methyl]phenyl]ethanone
CID 29029320
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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-(3-methylbutyl)-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[(2R)-1-(3-methylbutyl)-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-2-yl]ethanol (CID 93233357) is 2-[(2R)-1-(3-methylbutyl)-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2R)-1-(3-methylbutyl)-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2R)-1-(3-methylbutyl)-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-2-yl]ethanol is CC(C)CCN1CCN(Cc2nc(-c3ccccc3)cs2)C[C@H]1CCO.
What is the InChIKey of 2-[(2R)-1-(3-methylbutyl)-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-2-yl]ethanol?
The InChIKey is JIUKJZYANVENLE-LJQANCHMSA-N. The full InChI is InChI=1S/C21H31N3OS/c1-17(2)8-10-24-12-11-23(14-19(24)9-13-25)15-21-22-20(16-26-21)18-6-4-3-5-7-18/h3-7,16-17,19,25H,8-15H2,1-2H3/t19-/m1/s1.
What are the key properties of 2-[(2R)-1-(3-methylbutyl)-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-2-yl]ethanol?
2-[(2R)-1-(3-methylbutyl)-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-2-yl]ethanol has a molecular weight of 373.57 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-(3-methylbutyl)-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 93233357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).