1-[2-(4-tert-butylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanol

C13H23N3OS — CID 55112132

IUPAC1-[2-(4-tert-butylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanol
SMILESCC(O)c1cnc(N2CCN(C(C)(C)C)CC2)s1
InChIInChI=1S/C13H23N3OS/c1-10(17)11-9-14-12(18-11)15-5-7-16(8-6-15)13(2,3)4/h9-10,17H,5-8H2,1-4H3
InChIKeyUEPPHUWYXUYAFK-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.12
Rot. Bonds2

About 1-[2-(4-tert-butylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanol

1-[2-(4-tert-butylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanol (PubChem CID 55112132) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is 1-[2-(4-tert-butylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[2-(4-tert-butylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanol
PubChem CID55112132
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Name1-[2-(4-tert-butylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanol
SMILESCC(O)c1cnc(N2CCN(C(C)(C)C)CC2)s1
InChIInChI=1S/C13H23N3OS/c1-10(17)11-9-14-12(18-11)15-5-7-16(8-6-15)13(2,3)4/h9-10,17H,5-8H2,1-4H3
InChIKeyUEPPHUWYXUYAFK-UHFFFAOYSA-N
XLogP2.12
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-tert-butylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanol?
The IUPAC name of 1-[2-(4-tert-butylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanol (CID 55112132) is 1-[2-(4-tert-butylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for 1-[2-(4-tert-butylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for 1-[2-(4-tert-butylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanol is CC(O)c1cnc(N2CCN(C(C)(C)C)CC2)s1.
What is the InChIKey of 1-[2-(4-tert-butylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanol?
The InChIKey is UEPPHUWYXUYAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-10(17)11-9-14-12(18-11)15-5-7-16(8-6-15)13(2,3)4/h9-10,17H,5-8H2,1-4H3.
What are the key properties of 1-[2-(4-tert-butylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanol?
1-[2-(4-tert-butylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanol has a molecular weight of 269.41 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-tert-butylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 55112132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).