[3-[(6-methyl-1,3-benzothiazol-4-yl)oxy]azetidin-1-yl]-(oxan-3-ylphosphanyl)methanone

C17H21N2O3PS — CID 134431457

IUPAC[3-[(6-methyl-1,3-benzothiazol-4-yl)oxy]azetidin-1-yl]-(oxan-3-ylphosphanyl)methanone
SMILESCc1cc(OC2CN(C(=O)PC3CCCOC3)C2)c2ncsc2c1
InChIInChI=1S/C17H21N2O3PS/c1-11-5-14(16-15(6-11)24-10-18-16)22-12-7-19(8-12)17(20)23-13-3-2-4-21-9-13/h5-6,10,12-13,23H,2-4,7-9H2,1H3
InChIKeyAPRZLTGIKSVURJ-UHFFFAOYSA-N
MW364.41 g/mol
LogP3.65
Rot. Bonds4

About [3-[(6-methyl-1,3-benzothiazol-4-yl)oxy]azetidin-1-yl]-(oxan-3-ylphosphanyl)methanone

[3-[(6-methyl-1,3-benzothiazol-4-yl)oxy]azetidin-1-yl]-(oxan-3-ylphosphanyl)methanone (PubChem CID 134431457) has the molecular formula C17H21N2O3PS and a molecular weight of 364.41 g/mol. Its IUPAC name is [3-[(6-methyl-1,3-benzothiazol-4-yl)oxy]azetidin-1-yl]-(oxan-3-ylphosphanyl)methanone.

Molecular Properties

Compound Name[3-[(6-methyl-1,3-benzothiazol-4-yl)oxy]azetidin-1-yl]-(oxan-3-ylphosphanyl)methanone
PubChem CID134431457
Molecular FormulaC17H21N2O3PS
Molecular Weight364.41 g/mol
Exact Mass364.10
IUPAC Name[3-[(6-methyl-1,3-benzothiazol-4-yl)oxy]azetidin-1-yl]-(oxan-3-ylphosphanyl)methanone
SMILESCc1cc(OC2CN(C(=O)PC3CCCOC3)C2)c2ncsc2c1
InChIInChI=1S/C17H21N2O3PS/c1-11-5-14(16-15(6-11)24-10-18-16)22-12-7-19(8-12)17(20)23-13-3-2-4-21-9-13/h5-6,10,12-13,23H,2-4,7-9H2,1H3
InChIKeyAPRZLTGIKSVURJ-UHFFFAOYSA-N
XLogP3.65
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

4-cyclobutyloxy-6-methyl-1,3-benzothiazole
CID 134430415
3-[(6-fluoro-1,3-benzothiazol-4-yl)oxy]-N-[1-(5-fluoro-2-pyridinyl)azetidin-3-yl]azetidine-1-carboxamide
CID 134430396
3-(1,3-benzothiazol-4-yloxy)-N-piperidin-4-ylazetidine-1-carboxamide
CID 134430043
[3-(2-methoxyphenoxy)azetidin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 96581278
[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]-(2,4,6-trimethylphenyl)methanone
CID 121150333
(1R)-1-[4-methyl-2-(oxan-3-yloxy)phenyl]ethanol
CID 107135084
[3-(2-methoxyphenoxy)azetidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 70785183
[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-(4-methylthiophen-2-yl)methanone
CID 122268155
4-methoxy-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide
CID 54003528
1-[5-methyl-2-(oxan-3-yloxy)phenyl]ethanol
CID 107135051
3-[(6-fluoro-1,3-benzothiazol-4-yl)oxy]-N-[1-(5-fluoro-2-pyridinyl)azetidin-3-yl]cyclobutane-1-carboxamide
CID 139369022
3-[(6-fluoro-1,3-benzothiazol-4-yl)oxy]-N-(1-pyrazin-2-ylazetidin-3-yl)cyclobutane-1-carboxamide
CID 139369041

Frequently Asked Questions

What is the IUPAC name of [3-[(6-methyl-1,3-benzothiazol-4-yl)oxy]azetidin-1-yl]-(oxan-3-ylphosphanyl)methanone?
The IUPAC name of [3-[(6-methyl-1,3-benzothiazol-4-yl)oxy]azetidin-1-yl]-(oxan-3-ylphosphanyl)methanone (CID 134431457) is [3-[(6-methyl-1,3-benzothiazol-4-yl)oxy]azetidin-1-yl]-(oxan-3-ylphosphanyl)methanone.
What is the SMILES notation for [3-[(6-methyl-1,3-benzothiazol-4-yl)oxy]azetidin-1-yl]-(oxan-3-ylphosphanyl)methanone?
The canonical SMILES for [3-[(6-methyl-1,3-benzothiazol-4-yl)oxy]azetidin-1-yl]-(oxan-3-ylphosphanyl)methanone is Cc1cc(OC2CN(C(=O)PC3CCCOC3)C2)c2ncsc2c1.
What is the InChIKey of [3-[(6-methyl-1,3-benzothiazol-4-yl)oxy]azetidin-1-yl]-(oxan-3-ylphosphanyl)methanone?
The InChIKey is APRZLTGIKSVURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N2O3PS/c1-11-5-14(16-15(6-11)24-10-18-16)22-12-7-19(8-12)17(20)23-13-3-2-4-21-9-13/h5-6,10,12-13,23H,2-4,7-9H2,1H3.
What are the key properties of [3-[(6-methyl-1,3-benzothiazol-4-yl)oxy]azetidin-1-yl]-(oxan-3-ylphosphanyl)methanone?
[3-[(6-methyl-1,3-benzothiazol-4-yl)oxy]azetidin-1-yl]-(oxan-3-ylphosphanyl)methanone has a molecular weight of 364.41 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(6-methyl-1,3-benzothiazol-4-yl)oxy]azetidin-1-yl]-(oxan-3-ylphosphanyl)methanone is sourced from PubChem (CID 134431457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).