[1-(6-fluoro-1,3-benzothiazol-2-yl)azetidin-3-yl] 4-acetylbenzoate

C19H15FN2O3S — CID 71796034

IUPAC[1-(6-fluoro-1,3-benzothiazol-2-yl)azetidin-3-yl] 4-acetylbenzoate
SMILESCC(=O)c1ccc(C(=O)OC2CN(c3nc4ccc(F)cc4s3)C2)cc1
InChIInChI=1S/C19H15FN2O3S/c1-11(23)12-2-4-13(5-3-12)18(24)25-15-9-22(10-15)19-21-16-7-6-14(20)8-17(16)26-19/h2-8,15H,9-10H2,1H3
InChIKeyZGNRGXRKJZPYRX-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.68
Rot. Bonds4

About [1-(6-fluoro-1,3-benzothiazol-2-yl)azetidin-3-yl] 4-acetylbenzoate

[1-(6-fluoro-1,3-benzothiazol-2-yl)azetidin-3-yl] 4-acetylbenzoate (PubChem CID 71796034) has the molecular formula C19H15FN2O3S and a molecular weight of 370.41 g/mol. Its IUPAC name is [1-(6-fluoro-1,3-benzothiazol-2-yl)azetidin-3-yl] 4-acetylbenzoate.

Molecular Properties

Compound Name[1-(6-fluoro-1,3-benzothiazol-2-yl)azetidin-3-yl] 4-acetylbenzoate
PubChem CID71796034
Molecular FormulaC19H15FN2O3S
Molecular Weight370.41 g/mol
Exact Mass370.08
IUPAC Name[1-(6-fluoro-1,3-benzothiazol-2-yl)azetidin-3-yl] 4-acetylbenzoate
SMILESCC(=O)c1ccc(C(=O)OC2CN(c3nc4ccc(F)cc4s3)C2)cc1
InChIInChI=1S/C19H15FN2O3S/c1-11(23)12-2-4-13(5-3-12)18(24)25-15-9-22(10-15)19-21-16-7-6-14(20)8-17(16)26-19/h2-8,15H,9-10H2,1H3
InChIKeyZGNRGXRKJZPYRX-UHFFFAOYSA-N
XLogP3.68
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(6-fluoro-1,3-benzothiazol-2-yl)azetidin-3-yl] 4-acetylbenzoate?
The IUPAC name of [1-(6-fluoro-1,3-benzothiazol-2-yl)azetidin-3-yl] 4-acetylbenzoate (CID 71796034) is [1-(6-fluoro-1,3-benzothiazol-2-yl)azetidin-3-yl] 4-acetylbenzoate.
What is the SMILES notation for [1-(6-fluoro-1,3-benzothiazol-2-yl)azetidin-3-yl] 4-acetylbenzoate?
The canonical SMILES for [1-(6-fluoro-1,3-benzothiazol-2-yl)azetidin-3-yl] 4-acetylbenzoate is CC(=O)c1ccc(C(=O)OC2CN(c3nc4ccc(F)cc4s3)C2)cc1.
What is the InChIKey of [1-(6-fluoro-1,3-benzothiazol-2-yl)azetidin-3-yl] 4-acetylbenzoate?
The InChIKey is ZGNRGXRKJZPYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O3S/c1-11(23)12-2-4-13(5-3-12)18(24)25-15-9-22(10-15)19-21-16-7-6-14(20)8-17(16)26-19/h2-8,15H,9-10H2,1H3.
What are the key properties of [1-(6-fluoro-1,3-benzothiazol-2-yl)azetidin-3-yl] 4-acetylbenzoate?
[1-(6-fluoro-1,3-benzothiazol-2-yl)azetidin-3-yl] 4-acetylbenzoate has a molecular weight of 370.41 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-fluoro-1,3-benzothiazol-2-yl)azetidin-3-yl] 4-acetylbenzoate is sourced from PubChem (CID 71796034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).