tert-butyl 3-(1,2-benzothiazol-4-yloxy)azetidine-1-carboxylate

C15H18N2O3S — CID 134430205

IUPACtert-butyl 3-(1,2-benzothiazol-4-yloxy)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(Oc2cccc3sncc23)C1
InChIInChI=1S/C15H18N2O3S/c1-15(2,3)20-14(18)17-8-10(9-17)19-12-5-4-6-13-11(12)7-16-21-13/h4-7,10H,8-9H2,1-3H3
InChIKeyZJMLMTBWFZOTEZ-UHFFFAOYSA-N
MW306.39 g/mol
LogP3.29
Rot. Bonds2

About tert-butyl 3-(1,2-benzothiazol-4-yloxy)azetidine-1-carboxylate

tert-butyl 3-(1,2-benzothiazol-4-yloxy)azetidine-1-carboxylate (PubChem CID 134430205) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is tert-butyl 3-(1,2-benzothiazol-4-yloxy)azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(1,2-benzothiazol-4-yloxy)azetidine-1-carboxylate
PubChem CID134430205
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Nametert-butyl 3-(1,2-benzothiazol-4-yloxy)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(Oc2cccc3sncc23)C1
InChIInChI=1S/C15H18N2O3S/c1-15(2,3)20-14(18)17-8-10(9-17)19-12-5-4-6-13-11(12)7-16-21-13/h4-7,10H,8-9H2,1-3H3
InChIKeyZJMLMTBWFZOTEZ-UHFFFAOYSA-N
XLogP3.29
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 3-[(4-methoxy-1,3-benzothiazol-2-yl)oxy]azetidine-1-carboxylate
CID 91624003
tert-butyl 3-(3-chloro-2-methoxycarbonylphenoxy)azetidine-1-carboxylate
CID 178112450
tert-butyl 3-[(3-isothiocyanato-4-pyridinyl)oxy]azetidine-1-carboxylate
CID 89157826
tert-butyl 3-[[3-(1,3-benzothiazol-4-yloxy)cyclobutanecarbonyl]amino]azetidine-1-carboxylate
CID 139369217
tert-butyl 3-[5-(2-amino-1-methoxypropan-2-yl)-3-chloroisoquinolin-8-yl]oxyazetidine-1-carboxylate
CID 165117565
tert-butyl 3-[1-(benzenesulfonyl)indazol-4-yl]oxypyrrolidine-1-carboxylate
CID 22643433
tert-butyl 3-(2,4,5-trifluorophenoxy)azetidine-1-carboxylate
CID 24902669
tert-butyl 3-[[6-bromo-4-(trifluoromethyl)-3-pyridinyl]oxy]azetidine-1-carboxylate
CID 164905364
tert-butyl 3-(4-hydroxyphenoxy)azetidine-1-carboxylate
CID 162516277
tert-butyl 3-(2,3,6-trifluorophenoxy)azetidine-1-carboxylate
CID 24902667
tert-butyl 4-quinolin-5-yloxypiperidine-1-carboxylate
CID 170614892
tert-butyl 3-(2,3-dichlorophenoxy)pyrrolidine-1-carboxylate
CID 69451031

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(1,2-benzothiazol-4-yloxy)azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(1,2-benzothiazol-4-yloxy)azetidine-1-carboxylate (CID 134430205) is tert-butyl 3-(1,2-benzothiazol-4-yloxy)azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(1,2-benzothiazol-4-yloxy)azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(1,2-benzothiazol-4-yloxy)azetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(Oc2cccc3sncc23)C1.
What is the InChIKey of tert-butyl 3-(1,2-benzothiazol-4-yloxy)azetidine-1-carboxylate?
The InChIKey is ZJMLMTBWFZOTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-15(2,3)20-14(18)17-8-10(9-17)19-12-5-4-6-13-11(12)7-16-21-13/h4-7,10H,8-9H2,1-3H3.
What are the key properties of tert-butyl 3-(1,2-benzothiazol-4-yloxy)azetidine-1-carboxylate?
tert-butyl 3-(1,2-benzothiazol-4-yloxy)azetidine-1-carboxylate has a molecular weight of 306.39 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(1,2-benzothiazol-4-yloxy)azetidine-1-carboxylate is sourced from PubChem (CID 134430205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).