(2,6-dimethylmorpholin-4-yl)-[1-(4-methoxy-1,3-benzothiazol-2-yl)azetidin-3-yl]methanone

C18H23N3O3S — CID 121127864

IUPAC(2,6-dimethylmorpholin-4-yl)-[1-(4-methoxy-1,3-benzothiazol-2-yl)azetidin-3-yl]methanone
SMILESCOc1cccc2sc(N3CC(C(=O)N4CC(C)OC(C)C4)C3)nc12
InChIInChI=1S/C18H23N3O3S/c1-11-7-20(8-12(2)24-11)17(22)13-9-21(10-13)18-19-16-14(23-3)5-4-6-15(16)25-18/h4-6,11-13H,7-10H2,1-3H3
InChIKeyFDEBKESWLGMFIR-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.38
Rot. Bonds3

About (2,6-dimethylmorpholin-4-yl)-[1-(4-methoxy-1,3-benzothiazol-2-yl)azetidin-3-yl]methanone

(2,6-dimethylmorpholin-4-yl)-[1-(4-methoxy-1,3-benzothiazol-2-yl)azetidin-3-yl]methanone (PubChem CID 121127864) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is (2,6-dimethylmorpholin-4-yl)-[1-(4-methoxy-1,3-benzothiazol-2-yl)azetidin-3-yl]methanone.

Molecular Properties

Compound Name(2,6-dimethylmorpholin-4-yl)-[1-(4-methoxy-1,3-benzothiazol-2-yl)azetidin-3-yl]methanone
PubChem CID121127864
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name(2,6-dimethylmorpholin-4-yl)-[1-(4-methoxy-1,3-benzothiazol-2-yl)azetidin-3-yl]methanone
SMILESCOc1cccc2sc(N3CC(C(=O)N4CC(C)OC(C)C4)C3)nc12
InChIInChI=1S/C18H23N3O3S/c1-11-7-20(8-12(2)24-11)17(22)13-9-21(10-13)18-19-16-14(23-3)5-4-6-15(16)25-18/h4-6,11-13H,7-10H2,1-3H3
InChIKeyFDEBKESWLGMFIR-UHFFFAOYSA-N
XLogP2.38
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2,6-dimethylmorpholin-4-yl)-[1-(4-methoxy-1,3-benzothiazol-2-yl)azetidin-3-yl]methanone with MolForge

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

Launch Full Analysis

Related Compounds

[1-(4-methoxy-1,3-benzothiazol-2-yl)azetidin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 121127853
(4-benzhydrylpiperazin-1-yl)-[1-(4-methoxy-1,3-benzothiazol-2-yl)azetidin-3-yl]methanone
CID 121127866
cyclopropyl-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 7539384
N-ethyl-1-(4-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 121127878
N-cyclopentyl-1-(4-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 71800294
3,4-dihydro-2H-quinolin-1-yl-[1-(4-methoxy-1,3-benzothiazol-2-yl)azetidin-3-yl]methanone
CID 121127918
[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 43981824
1-(4-methoxy-1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)azetidine-3-carboxamide
CID 121127887
1-(4-methoxy-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)azetidine-3-carboxamide
CID 121128067
1-(4-methoxy-1,3-benzothiazol-2-yl)-N-(2-oxothiolan-3-yl)azetidine-3-carboxamide
CID 121128046
1-(4-methoxy-1,3-benzothiazol-2-yl)-N-(2-phenoxyphenyl)azetidine-3-carboxamide
CID 121128025
[1-(4-methyl-1,3-benzothiazol-2-yl)azetidin-3-yl]-morpholin-4-ylmethanone
CID 163354169

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylmorpholin-4-yl)-[1-(4-methoxy-1,3-benzothiazol-2-yl)azetidin-3-yl]methanone?
The IUPAC name of (2,6-dimethylmorpholin-4-yl)-[1-(4-methoxy-1,3-benzothiazol-2-yl)azetidin-3-yl]methanone (CID 121127864) is (2,6-dimethylmorpholin-4-yl)-[1-(4-methoxy-1,3-benzothiazol-2-yl)azetidin-3-yl]methanone.
What is the SMILES notation for (2,6-dimethylmorpholin-4-yl)-[1-(4-methoxy-1,3-benzothiazol-2-yl)azetidin-3-yl]methanone?
The canonical SMILES for (2,6-dimethylmorpholin-4-yl)-[1-(4-methoxy-1,3-benzothiazol-2-yl)azetidin-3-yl]methanone is COc1cccc2sc(N3CC(C(=O)N4CC(C)OC(C)C4)C3)nc12.
What is the InChIKey of (2,6-dimethylmorpholin-4-yl)-[1-(4-methoxy-1,3-benzothiazol-2-yl)azetidin-3-yl]methanone?
The InChIKey is FDEBKESWLGMFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-11-7-20(8-12(2)24-11)17(22)13-9-21(10-13)18-19-16-14(23-3)5-4-6-15(16)25-18/h4-6,11-13H,7-10H2,1-3H3.
What are the key properties of (2,6-dimethylmorpholin-4-yl)-[1-(4-methoxy-1,3-benzothiazol-2-yl)azetidin-3-yl]methanone?
(2,6-dimethylmorpholin-4-yl)-[1-(4-methoxy-1,3-benzothiazol-2-yl)azetidin-3-yl]methanone has a molecular weight of 361.47 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylmorpholin-4-yl)-[1-(4-methoxy-1,3-benzothiazol-2-yl)azetidin-3-yl]methanone is sourced from PubChem (CID 121127864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).