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

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Related Compounds

2-[1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-1-morpholin-4-ylethanone
CID 172902520
4-ethyl-2-[3-(fluoromethyl)pyrrolidin-1-yl]-1,3-benzothiazole
CID 163348320
[1-(4-ethyl-1,3-benzothiazol-2-yl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
CID 166603541
[1-(4-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 165435619
1-(4-ethyl-1,3-benzothiazol-2-yl)piperidine-2-carboxylic acid
CID 56724806
1-(4-ethyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 172900683
[4-(4-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 7539304
[4-(4-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 7539301
N-[1-(4-ethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide
CID 171997771
2-[4-(4-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4,5-dimethyl-1,3-benzothiazole
CID 16941475
[1-(4-methyl-1,3-benzothiazol-2-yl)azetidin-3-yl]-morpholin-4-ylmethanone
CID 163354169
1-[4-(4-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(4-fluorophenyl)sulfonylpropan-1-one
CID 41116042

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).