[3-[(4-methoxy-1,3-benzothiazol-2-yl)oxy]azetidin-1-yl]-(2-methylsulfanylphenyl)methanone

C19H18N2O3S2 — CID 71796269

IUPAC[3-[(4-methoxy-1,3-benzothiazol-2-yl)oxy]azetidin-1-yl]-(2-methylsulfanylphenyl)methanone
SMILESCOc1cccc2sc(OC3CN(C(=O)c4ccccc4SC)C3)nc12
InChIInChI=1S/C19H18N2O3S2/c1-23-14-7-5-9-16-17(14)20-19(26-16)24-12-10-21(11-12)18(22)13-6-3-4-8-15(13)25-2/h3-9,12H,10-11H2,1-2H3
InChIKeyWTMHHWCVTQTBHY-UHFFFAOYSA-N
MW386.50 g/mol
LogP3.93
Rot. Bonds5

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

[3-[(4-methoxy-1,3-benzothiazol-2-yl)oxy]azetidin-1-yl]-(2-methylsulfanylphenyl)methanone (PubChem CID 71796269) has the molecular formula C19H18N2O3S2 and a molecular weight of 386.50 g/mol. Its IUPAC name is [3-[(4-methoxy-1,3-benzothiazol-2-yl)oxy]azetidin-1-yl]-(2-methylsulfanylphenyl)methanone.

Molecular Properties

Compound Name[3-[(4-methoxy-1,3-benzothiazol-2-yl)oxy]azetidin-1-yl]-(2-methylsulfanylphenyl)methanone
PubChem CID71796269
Molecular FormulaC19H18N2O3S2
Molecular Weight386.50 g/mol
Exact Mass386.08
IUPAC Name[3-[(4-methoxy-1,3-benzothiazol-2-yl)oxy]azetidin-1-yl]-(2-methylsulfanylphenyl)methanone
SMILESCOc1cccc2sc(OC3CN(C(=O)c4ccccc4SC)C3)nc12
InChIInChI=1S/C19H18N2O3S2/c1-23-14-7-5-9-16-17(14)20-19(26-16)24-12-10-21(11-12)18(22)13-6-3-4-8-15(13)25-2/h3-9,12H,10-11H2,1-2H3
InChIKeyWTMHHWCVTQTBHY-UHFFFAOYSA-N
XLogP3.93
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

(7-methoxy-1-benzofuran-2-yl)-[3-[(4-methoxy-1,3-benzothiazol-2-yl)oxy]azetidin-1-yl]methanone
CID 71796254
tert-butyl 3-[(4-methoxy-1,3-benzothiazol-2-yl)oxy]azetidine-1-carboxylate
CID 91624003
2-(2-fluorophenoxy)-1-[3-[(4-methoxy-1,3-benzothiazol-2-yl)oxy]azetidin-1-yl]ethanone
CID 71796263
2-(1-cyclopropylsulfonylazetidin-3-yl)oxy-4-methoxy-1,3-benzothiazole
CID 71796353
3-[(4-methoxy-1,3-benzothiazol-2-yl)oxy]-N-(thiophen-2-ylmethyl)azetidine-1-carboxamide
CID 71796315
(2-ethylsulfanylphenyl)-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 7578587
[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(2-methylsulfanylphenyl)methanone
CID 122248008
1-(2-methoxyphenyl)-3-(4-methylsulfanyl-1,3-benzothiazol-2-yl)urea
CID 121081206
[(3S)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(2-methylsulfanylphenyl)methanone
CID 129355591
2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 90605614
[1-(4-methoxy-1,3-benzothiazol-2-yl)azetidin-3-yl] 3,3-diphenylpropanoate
CID 90606386
[1-(4-methoxy-1,3-benzothiazol-2-yl)azetidin-3-yl] 2,3-dimethoxybenzoate
CID 90606327

Frequently Asked Questions

What is the IUPAC name of [3-[(4-methoxy-1,3-benzothiazol-2-yl)oxy]azetidin-1-yl]-(2-methylsulfanylphenyl)methanone?
The IUPAC name of [3-[(4-methoxy-1,3-benzothiazol-2-yl)oxy]azetidin-1-yl]-(2-methylsulfanylphenyl)methanone (CID 71796269) is [3-[(4-methoxy-1,3-benzothiazol-2-yl)oxy]azetidin-1-yl]-(2-methylsulfanylphenyl)methanone.
What is the SMILES notation for [3-[(4-methoxy-1,3-benzothiazol-2-yl)oxy]azetidin-1-yl]-(2-methylsulfanylphenyl)methanone?
The canonical SMILES for [3-[(4-methoxy-1,3-benzothiazol-2-yl)oxy]azetidin-1-yl]-(2-methylsulfanylphenyl)methanone is COc1cccc2sc(OC3CN(C(=O)c4ccccc4SC)C3)nc12.
What is the InChIKey of [3-[(4-methoxy-1,3-benzothiazol-2-yl)oxy]azetidin-1-yl]-(2-methylsulfanylphenyl)methanone?
The InChIKey is WTMHHWCVTQTBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S2/c1-23-14-7-5-9-16-17(14)20-19(26-16)24-12-10-21(11-12)18(22)13-6-3-4-8-15(13)25-2/h3-9,12H,10-11H2,1-2H3.
What are the key properties of [3-[(4-methoxy-1,3-benzothiazol-2-yl)oxy]azetidin-1-yl]-(2-methylsulfanylphenyl)methanone?
[3-[(4-methoxy-1,3-benzothiazol-2-yl)oxy]azetidin-1-yl]-(2-methylsulfanylphenyl)methanone has a molecular weight of 386.50 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-methoxy-1,3-benzothiazol-2-yl)oxy]azetidin-1-yl]-(2-methylsulfanylphenyl)methanone is sourced from PubChem (CID 71796269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).