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

C15H25N3O2S — CID 21392460

IUPAC2-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperazin-1-yl]ethyl acetate
SMILESCC(=O)OCCN1CCN(c2nc(C(C)(C)C)cs2)CC1
InChIInChI=1S/C15H25N3O2S/c1-12(19)20-10-9-17-5-7-18(8-6-17)14-16-13(11-21-14)15(2,3)4/h11H,5-10H2,1-4H3
InChIKeyXAHQWFGNGGVHCC-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.13
Rot. Bonds4

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

2-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperazin-1-yl]ethyl acetate (PubChem CID 21392460) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 2-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperazin-1-yl]ethyl acetate.

Molecular Properties

Compound Name2-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperazin-1-yl]ethyl acetate
PubChem CID21392460
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name2-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperazin-1-yl]ethyl acetate
SMILESCC(=O)OCCN1CCN(c2nc(C(C)(C)C)cs2)CC1
InChIInChI=1S/C15H25N3O2S/c1-12(19)20-10-9-17-5-7-18(8-6-17)14-16-13(11-21-14)15(2,3)4/h11H,5-10H2,1-4H3
InChIKeyXAHQWFGNGGVHCC-UHFFFAOYSA-N
XLogP2.13
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperazin-1-yl]ethyl acetate 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]ethyl acetate?
The IUPAC name of 2-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperazin-1-yl]ethyl acetate (CID 21392460) is 2-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperazin-1-yl]ethyl acetate.
What is the SMILES notation for 2-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperazin-1-yl]ethyl acetate?
The canonical SMILES for 2-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperazin-1-yl]ethyl acetate is CC(=O)OCCN1CCN(c2nc(C(C)(C)C)cs2)CC1.
What is the InChIKey of 2-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperazin-1-yl]ethyl acetate?
The InChIKey is XAHQWFGNGGVHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-12(19)20-10-9-17-5-7-18(8-6-17)14-16-13(11-21-14)15(2,3)4/h11H,5-10H2,1-4H3.
What are the key properties of 2-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperazin-1-yl]ethyl acetate?
2-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperazin-1-yl]ethyl acetate has a molecular weight of 311.45 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 6 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]ethyl acetate is sourced from PubChem (CID 21392460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).