2-[5-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]ethanol

C11H19N3OS — CID 10681584

IUPAC2-[5-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]ethanol
SMILESCc1sc(N2CCN(C)CC2)nc1CCO
InChIInChI=1S/C11H19N3OS/c1-9-10(3-8-15)12-11(16-9)14-6-4-13(2)5-7-14/h15H,3-8H2,1-2H3
InChIKeyVBAGLKSQAULKAC-UHFFFAOYSA-N
MW241.36 g/mol
LogP0.74
Rot. Bonds3

About 2-[5-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]ethanol

2-[5-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]ethanol (PubChem CID 10681584) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 2-[5-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[5-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]ethanol
PubChem CID10681584
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name2-[5-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]ethanol
SMILESCc1sc(N2CCN(C)CC2)nc1CCO
InChIInChI=1S/C11H19N3OS/c1-9-10(3-8-15)12-11(16-9)14-6-4-13(2)5-7-14/h15H,3-8H2,1-2H3
InChIKeyVBAGLKSQAULKAC-UHFFFAOYSA-N
XLogP0.74
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]ethanol?
The IUPAC name of 2-[5-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]ethanol (CID 10681584) is 2-[5-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]ethanol.
What is the SMILES notation for 2-[5-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]ethanol?
The canonical SMILES for 2-[5-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]ethanol is Cc1sc(N2CCN(C)CC2)nc1CCO.
What is the InChIKey of 2-[5-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]ethanol?
The InChIKey is VBAGLKSQAULKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-9-10(3-8-15)12-11(16-9)14-6-4-13(2)5-7-14/h15H,3-8H2,1-2H3.
What are the key properties of 2-[5-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]ethanol?
2-[5-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]ethanol has a molecular weight of 241.36 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]ethanol is sourced from PubChem (CID 10681584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).