2-[4-(5-bromo-1,3-thiazol-2-yl)-2,6-dimethylpiperazin-1-yl]ethanol

C11H18BrN3OS — CID 66657806

IUPAC2-[4-(5-bromo-1,3-thiazol-2-yl)-2,6-dimethylpiperazin-1-yl]ethanol
SMILESCC1CN(c2ncc(Br)s2)CC(C)N1CCO
InChIInChI=1S/C11H18BrN3OS/c1-8-6-14(11-13-5-10(12)17-11)7-9(2)15(8)3-4-16/h5,8-9,16H,3-4,6-7H2,1-2H3
InChIKeyOIGGDZJHXVFCSF-UHFFFAOYSA-N
MW320.26 g/mol
LogP1.80
Rot. Bonds3

About 2-[4-(5-bromo-1,3-thiazol-2-yl)-2,6-dimethylpiperazin-1-yl]ethanol

2-[4-(5-bromo-1,3-thiazol-2-yl)-2,6-dimethylpiperazin-1-yl]ethanol (PubChem CID 66657806) has the molecular formula C11H18BrN3OS and a molecular weight of 320.26 g/mol. Its IUPAC name is 2-[4-(5-bromo-1,3-thiazol-2-yl)-2,6-dimethylpiperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(5-bromo-1,3-thiazol-2-yl)-2,6-dimethylpiperazin-1-yl]ethanol
PubChem CID66657806
Molecular FormulaC11H18BrN3OS
Molecular Weight320.26 g/mol
Exact Mass319.04
IUPAC Name2-[4-(5-bromo-1,3-thiazol-2-yl)-2,6-dimethylpiperazin-1-yl]ethanol
SMILESCC1CN(c2ncc(Br)s2)CC(C)N1CCO
InChIInChI=1S/C11H18BrN3OS/c1-8-6-14(11-13-5-10(12)17-11)7-9(2)15(8)3-4-16/h5,8-9,16H,3-4,6-7H2,1-2H3
InChIKeyOIGGDZJHXVFCSF-UHFFFAOYSA-N
XLogP1.80
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.26
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-bromo-1,3-thiazol-2-yl)-2,6-dimethylpiperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(5-bromo-1,3-thiazol-2-yl)-2,6-dimethylpiperazin-1-yl]ethanol (CID 66657806) is 2-[4-(5-bromo-1,3-thiazol-2-yl)-2,6-dimethylpiperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(5-bromo-1,3-thiazol-2-yl)-2,6-dimethylpiperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(5-bromo-1,3-thiazol-2-yl)-2,6-dimethylpiperazin-1-yl]ethanol is CC1CN(c2ncc(Br)s2)CC(C)N1CCO.
What is the InChIKey of 2-[4-(5-bromo-1,3-thiazol-2-yl)-2,6-dimethylpiperazin-1-yl]ethanol?
The InChIKey is OIGGDZJHXVFCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3OS/c1-8-6-14(11-13-5-10(12)17-11)7-9(2)15(8)3-4-16/h5,8-9,16H,3-4,6-7H2,1-2H3.
What are the key properties of 2-[4-(5-bromo-1,3-thiazol-2-yl)-2,6-dimethylpiperazin-1-yl]ethanol?
2-[4-(5-bromo-1,3-thiazol-2-yl)-2,6-dimethylpiperazin-1-yl]ethanol has a molecular weight of 320.26 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-bromo-1,3-thiazol-2-yl)-2,6-dimethylpiperazin-1-yl]ethanol is sourced from PubChem (CID 66657806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).