2-[(2R)-1-(3-methylbutyl)-4-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperazin-2-yl]ethanol

C19H34N4O2S — CID 98591177

IUPAC2-[(2R)-1-(3-methylbutyl)-4-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperazin-2-yl]ethanol
SMILESCC(C)CCN1CCN(Cc2cnc(N3CCOCC3)s2)C[C@H]1CCO
InChIInChI=1S/C19H34N4O2S/c1-16(2)3-5-22-7-6-21(14-17(22)4-10-24)15-18-13-20-19(26-18)23-8-11-25-12-9-23/h13,16-17,24H,3-12,14-15H2,1-2H3/t17-/m1/s1
InChIKeyGOZBOFVHASFWSV-QGZVFWFLSA-N
MW382.57 g/mol
LogP1.89
Rot. Bonds8

About 2-[(2R)-1-(3-methylbutyl)-4-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperazin-2-yl]ethanol

2-[(2R)-1-(3-methylbutyl)-4-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperazin-2-yl]ethanol (PubChem CID 98591177) has the molecular formula C19H34N4O2S and a molecular weight of 382.57 g/mol. Its IUPAC name is 2-[(2R)-1-(3-methylbutyl)-4-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2R)-1-(3-methylbutyl)-4-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperazin-2-yl]ethanol
PubChem CID98591177
Molecular FormulaC19H34N4O2S
Molecular Weight382.57 g/mol
Exact Mass382.24
IUPAC Name2-[(2R)-1-(3-methylbutyl)-4-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperazin-2-yl]ethanol
SMILESCC(C)CCN1CCN(Cc2cnc(N3CCOCC3)s2)C[C@H]1CCO
InChIInChI=1S/C19H34N4O2S/c1-16(2)3-5-22-7-6-21(14-17(22)4-10-24)15-18-13-20-19(26-18)23-8-11-25-12-9-23/h13,16-17,24H,3-12,14-15H2,1-2H3/t17-/m1/s1
InChIKeyGOZBOFVHASFWSV-QGZVFWFLSA-N
XLogP1.89
TPSA52.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.57
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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2-[(2S)-1-(3-methylbutyl)-4-[(5-methylthiophen-2-yl)methyl]piperazin-2-yl]ethanol
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4-[5-[(2-methyl-4-phenylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]morpholine
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2-[(2S)-1-(3-methylbutyl)-4-(3-phenylprop-2-ynyl)piperazin-2-yl]ethanol
CID 51627138
2-[(2S)-1-(3-methylbutyl)-4-(3-phenylpropyl)piperazin-2-yl]ethanol
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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-(3-methylbutyl)-4-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[(2R)-1-(3-methylbutyl)-4-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperazin-2-yl]ethanol (CID 98591177) is 2-[(2R)-1-(3-methylbutyl)-4-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2R)-1-(3-methylbutyl)-4-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2R)-1-(3-methylbutyl)-4-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperazin-2-yl]ethanol is CC(C)CCN1CCN(Cc2cnc(N3CCOCC3)s2)C[C@H]1CCO.
What is the InChIKey of 2-[(2R)-1-(3-methylbutyl)-4-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperazin-2-yl]ethanol?
The InChIKey is GOZBOFVHASFWSV-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H34N4O2S/c1-16(2)3-5-22-7-6-21(14-17(22)4-10-24)15-18-13-20-19(26-18)23-8-11-25-12-9-23/h13,16-17,24H,3-12,14-15H2,1-2H3/t17-/m1/s1.
What are the key properties of 2-[(2R)-1-(3-methylbutyl)-4-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperazin-2-yl]ethanol?
2-[(2R)-1-(3-methylbutyl)-4-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperazin-2-yl]ethanol has a molecular weight of 382.57 g/mol, XLogP of 1.89, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-(3-methylbutyl)-4-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 98591177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).