2-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperazin-1-yl]ethanol

C13H23N3OS — CID 21392455

IUPAC2-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperazin-1-yl]ethanol
SMILESCC(C)(C)c1csc(N2CCN(CCO)CC2)n1
InChIInChI=1S/C13H23N3OS/c1-13(2,3)11-10-18-12(14-11)16-6-4-15(5-7-16)8-9-17/h10,17H,4-9H2,1-3H3
InChIKeyUEAXCRHAGPDEQV-UHFFFAOYSA-N
MW269.41 g/mol
LogP1.55
Rot. Bonds3

About 2-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperazin-1-yl]ethanol

2-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperazin-1-yl]ethanol (PubChem CID 21392455) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is 2-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperazin-1-yl]ethanol
PubChem CID21392455
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Name2-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperazin-1-yl]ethanol
SMILESCC(C)(C)c1csc(N2CCN(CCO)CC2)n1
InChIInChI=1S/C13H23N3OS/c1-13(2,3)11-10-18-12(14-11)16-6-4-15(5-7-16)8-9-17/h10,17H,4-9H2,1-3H3
InChIKeyUEAXCRHAGPDEQV-UHFFFAOYSA-N
XLogP1.55
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperazin-1-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperazin-1-yl]ethanol (CID 21392455) is 2-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperazin-1-yl]ethanol is CC(C)(C)c1csc(N2CCN(CCO)CC2)n1.
What is the InChIKey of 2-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperazin-1-yl]ethanol?
The InChIKey is UEAXCRHAGPDEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-13(2,3)11-10-18-12(14-11)16-6-4-15(5-7-16)8-9-17/h10,17H,4-9H2,1-3H3.
What are the key properties of 2-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperazin-1-yl]ethanol?
2-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperazin-1-yl]ethanol has a molecular weight of 269.41 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperazin-1-yl]ethanol is sourced from PubChem (CID 21392455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).