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

C11H20N4OS — CID 120904205

IUPAC2-[4-[(2-amino-1,3-thiazol-5-yl)methyl]-2-methylpiperazin-1-yl]ethanol
SMILESCC1CN(Cc2cnc(N)s2)CCN1CCO
InChIInChI=1S/C11H20N4OS/c1-9-7-14(2-3-15(9)4-5-16)8-10-6-13-11(12)17-10/h6,9,16H,2-5,7-8H2,1H3,(H2,12,13)
InChIKeyMJXSBWODKFEIOB-UHFFFAOYSA-N
MW256.37 g/mol
LogP0.22
Rot. Bonds4

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

2-[4-[(2-amino-1,3-thiazol-5-yl)methyl]-2-methylpiperazin-1-yl]ethanol (PubChem CID 120904205) has the molecular formula C11H20N4OS and a molecular weight of 256.37 g/mol. Its IUPAC name is 2-[4-[(2-amino-1,3-thiazol-5-yl)methyl]-2-methylpiperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(2-amino-1,3-thiazol-5-yl)methyl]-2-methylpiperazin-1-yl]ethanol
PubChem CID120904205
Molecular FormulaC11H20N4OS
Molecular Weight256.37 g/mol
Exact Mass256.14
IUPAC Name2-[4-[(2-amino-1,3-thiazol-5-yl)methyl]-2-methylpiperazin-1-yl]ethanol
SMILESCC1CN(Cc2cnc(N)s2)CCN1CCO
InChIInChI=1S/C11H20N4OS/c1-9-7-14(2-3-15(9)4-5-16)8-10-6-13-11(12)17-10/h6,9,16H,2-5,7-8H2,1H3,(H2,12,13)
InChIKeyMJXSBWODKFEIOB-UHFFFAOYSA-N
XLogP0.22
TPSA65.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-amino-1,3-thiazol-5-yl)methyl]-2-methylpiperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[(2-amino-1,3-thiazol-5-yl)methyl]-2-methylpiperazin-1-yl]ethanol (CID 120904205) is 2-[4-[(2-amino-1,3-thiazol-5-yl)methyl]-2-methylpiperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(2-amino-1,3-thiazol-5-yl)methyl]-2-methylpiperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[(2-amino-1,3-thiazol-5-yl)methyl]-2-methylpiperazin-1-yl]ethanol is CC1CN(Cc2cnc(N)s2)CCN1CCO.
What is the InChIKey of 2-[4-[(2-amino-1,3-thiazol-5-yl)methyl]-2-methylpiperazin-1-yl]ethanol?
The InChIKey is MJXSBWODKFEIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4OS/c1-9-7-14(2-3-15(9)4-5-16)8-10-6-13-11(12)17-10/h6,9,16H,2-5,7-8H2,1H3,(H2,12,13).
What are the key properties of 2-[4-[(2-amino-1,3-thiazol-5-yl)methyl]-2-methylpiperazin-1-yl]ethanol?
2-[4-[(2-amino-1,3-thiazol-5-yl)methyl]-2-methylpiperazin-1-yl]ethanol has a molecular weight of 256.37 g/mol, XLogP of 0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-amino-1,3-thiazol-5-yl)methyl]-2-methylpiperazin-1-yl]ethanol is sourced from PubChem (CID 120904205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).