N-[2-(3-piperidin-1-ylcyclobutyl)-1,3-benzothiazol-5-yl]morpholine-4-carboxamide

C21H28N4O2S — CID 142694789

IUPACN-[2-(3-piperidin-1-ylcyclobutyl)-1,3-benzothiazol-5-yl]morpholine-4-carboxamide
SMILESO=C(Nc1ccc2sc(C3CC(N4CCCCC4)C3)nc2c1)N1CCOCC1
InChIInChI=1S/C21H28N4O2S/c26-21(25-8-10-27-11-9-25)22-16-4-5-19-18(14-16)23-20(28-19)15-12-17(13-15)24-6-2-1-3-7-24/h4-5,14-15,17H,1-3,6-13H2,(H,22,26)
InChIKeyISQKTDXVIMRMCH-UHFFFAOYSA-N
MW400.55 g/mol
LogP3.89
Rot. Bonds3

About N-[2-(3-piperidin-1-ylcyclobutyl)-1,3-benzothiazol-5-yl]morpholine-4-carboxamide

N-[2-(3-piperidin-1-ylcyclobutyl)-1,3-benzothiazol-5-yl]morpholine-4-carboxamide (PubChem CID 142694789) has the molecular formula C21H28N4O2S and a molecular weight of 400.55 g/mol. Its IUPAC name is N-[2-(3-piperidin-1-ylcyclobutyl)-1,3-benzothiazol-5-yl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-piperidin-1-ylcyclobutyl)-1,3-benzothiazol-5-yl]morpholine-4-carboxamide
PubChem CID142694789
Molecular FormulaC21H28N4O2S
Molecular Weight400.55 g/mol
Exact Mass400.19
IUPAC NameN-[2-(3-piperidin-1-ylcyclobutyl)-1,3-benzothiazol-5-yl]morpholine-4-carboxamide
SMILESO=C(Nc1ccc2sc(C3CC(N4CCCCC4)C3)nc2c1)N1CCOCC1
InChIInChI=1S/C21H28N4O2S/c26-21(25-8-10-27-11-9-25)22-16-4-5-19-18(14-16)23-20(28-19)15-12-17(13-15)24-6-2-1-3-7-24/h4-5,14-15,17H,1-3,6-13H2,(H,22,26)
InChIKeyISQKTDXVIMRMCH-UHFFFAOYSA-N
XLogP3.89
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.55
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-phenyl-1,3-benzothiazol-5-yl)piperidine-1-carboxamide
CID 130248858
N-[2-(2-fluorophenyl)-1,3-benzothiazol-5-yl]piperidine-1-carboxamide
CID 130247403
N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)morpholine-4-carboxamide
CID 108873966
N-[3-(morpholine-4-carbonylamino)phenyl]morpholine-4-carboxamide
CID 171576986
N-[2-(3-fluorophenyl)-1,3-benzothiazol-5-yl]pyrrolidine-1-carboxamide
CID 130270096
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]morpholine-4-carboxamide
CID 3261830
N-(1-methylbenzimidazol-5-yl)morpholine-4-carboxamide
CID 110869159
N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-3-(trifluoromethyl)piperidine-1-carboxamide
CID 71882352
N-[2-(2,5-dioxopyrrolidin-1-yl)-1,3-benzothiazol-6-yl]azepane-1-carboxamide
CID 126152037
N-quinoxalin-6-ylpiperidine-1-carboxamide
CID 798080
4-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 72858123
4-(1,3-benzothiazol-2-yl)-N-(3-methyl-4-nitrophenyl)piperidine-1-carboxamide
CID 112839749

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-piperidin-1-ylcyclobutyl)-1,3-benzothiazol-5-yl]morpholine-4-carboxamide?
The IUPAC name of N-[2-(3-piperidin-1-ylcyclobutyl)-1,3-benzothiazol-5-yl]morpholine-4-carboxamide (CID 142694789) is N-[2-(3-piperidin-1-ylcyclobutyl)-1,3-benzothiazol-5-yl]morpholine-4-carboxamide.
What is the SMILES notation for N-[2-(3-piperidin-1-ylcyclobutyl)-1,3-benzothiazol-5-yl]morpholine-4-carboxamide?
The canonical SMILES for N-[2-(3-piperidin-1-ylcyclobutyl)-1,3-benzothiazol-5-yl]morpholine-4-carboxamide is O=C(Nc1ccc2sc(C3CC(N4CCCCC4)C3)nc2c1)N1CCOCC1.
What is the InChIKey of N-[2-(3-piperidin-1-ylcyclobutyl)-1,3-benzothiazol-5-yl]morpholine-4-carboxamide?
The InChIKey is ISQKTDXVIMRMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2S/c26-21(25-8-10-27-11-9-25)22-16-4-5-19-18(14-16)23-20(28-19)15-12-17(13-15)24-6-2-1-3-7-24/h4-5,14-15,17H,1-3,6-13H2,(H,22,26).
What are the key properties of N-[2-(3-piperidin-1-ylcyclobutyl)-1,3-benzothiazol-5-yl]morpholine-4-carboxamide?
N-[2-(3-piperidin-1-ylcyclobutyl)-1,3-benzothiazol-5-yl]morpholine-4-carboxamide has a molecular weight of 400.55 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-piperidin-1-ylcyclobutyl)-1,3-benzothiazol-5-yl]morpholine-4-carboxamide is sourced from PubChem (CID 142694789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).