2-[1-(4-ethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-1-morpholin-4-ylethanone

C20H27N3O2S — CID 172902679

IUPAC2-[1-(4-ethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-1-morpholin-4-ylethanone
SMILESCCc1cccc2sc(N3CCC(CC(=O)N4CCOCC4)CC3)nc12
InChIInChI=1S/C20H27N3O2S/c1-2-16-4-3-5-17-19(16)21-20(26-17)23-8-6-15(7-9-23)14-18(24)22-10-12-25-13-11-22/h3-5,15H,2,6-14H2,1H3
InChIKeyLKOFAXONISUNJG-UHFFFAOYSA-N
MW373.52 g/mol
LogP3.32
Rot. Bonds4

About 2-[1-(4-ethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-1-morpholin-4-ylethanone

2-[1-(4-ethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-1-morpholin-4-ylethanone (PubChem CID 172902679) has the molecular formula C20H27N3O2S and a molecular weight of 373.52 g/mol. Its IUPAC name is 2-[1-(4-ethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[1-(4-ethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-1-morpholin-4-ylethanone
PubChem CID172902679
Molecular FormulaC20H27N3O2S
Molecular Weight373.52 g/mol
Exact Mass373.18
IUPAC Name2-[1-(4-ethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-1-morpholin-4-ylethanone
SMILESCCc1cccc2sc(N3CCC(CC(=O)N4CCOCC4)CC3)nc12
InChIInChI=1S/C20H27N3O2S/c1-2-16-4-3-5-17-19(16)21-20(26-17)23-8-6-15(7-9-23)14-18(24)22-10-12-25-13-11-22/h3-5,15H,2,6-14H2,1H3
InChIKeyLKOFAXONISUNJG-UHFFFAOYSA-N
XLogP3.32
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[1-(4-ethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-1-morpholin-4-ylethanone 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-[1-(4-ethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[1-(4-ethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-1-morpholin-4-ylethanone (CID 172902679) is 2-[1-(4-ethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[1-(4-ethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[1-(4-ethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-1-morpholin-4-ylethanone is CCc1cccc2sc(N3CCC(CC(=O)N4CCOCC4)CC3)nc12.
What is the InChIKey of 2-[1-(4-ethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-1-morpholin-4-ylethanone?
The InChIKey is LKOFAXONISUNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2S/c1-2-16-4-3-5-17-19(16)21-20(26-17)23-8-6-15(7-9-23)14-18(24)22-10-12-25-13-11-22/h3-5,15H,2,6-14H2,1H3.
What are the key properties of 2-[1-(4-ethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-1-morpholin-4-ylethanone?
2-[1-(4-ethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-1-morpholin-4-ylethanone has a molecular weight of 373.52 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-ethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 172902679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).