[1-(1,2-benzothiazol-3-yl)azetidin-3-yl]methanol

C11H12N2OS — CID 71650110

IUPAC[1-(1,2-benzothiazol-3-yl)azetidin-3-yl]methanol
SMILESOCC1CN(c2nsc3ccccc23)C1
InChIInChI=1S/C11H12N2OS/c14-7-8-5-13(6-8)11-9-3-1-2-4-10(9)15-12-11/h1-4,8,14H,5-7H2
InChIKeyDOPIGMFKBZJCGJ-UHFFFAOYSA-N
MW220.30 g/mol
LogP1.72
Rot. Bonds2

About [1-(1,2-benzothiazol-3-yl)azetidin-3-yl]methanol

[1-(1,2-benzothiazol-3-yl)azetidin-3-yl]methanol (PubChem CID 71650110) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is [1-(1,2-benzothiazol-3-yl)azetidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(1,2-benzothiazol-3-yl)azetidin-3-yl]methanol
PubChem CID71650110
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name[1-(1,2-benzothiazol-3-yl)azetidin-3-yl]methanol
SMILESOCC1CN(c2nsc3ccccc23)C1
InChIInChI=1S/C11H12N2OS/c14-7-8-5-13(6-8)11-9-3-1-2-4-10(9)15-12-11/h1-4,8,14H,5-7H2
InChIKeyDOPIGMFKBZJCGJ-UHFFFAOYSA-N
XLogP1.72
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(1,2-benzothiazol-3-yl)azetidin-3-yl]methanol?
The IUPAC name of [1-(1,2-benzothiazol-3-yl)azetidin-3-yl]methanol (CID 71650110) is [1-(1,2-benzothiazol-3-yl)azetidin-3-yl]methanol.
What is the SMILES notation for [1-(1,2-benzothiazol-3-yl)azetidin-3-yl]methanol?
The canonical SMILES for [1-(1,2-benzothiazol-3-yl)azetidin-3-yl]methanol is OCC1CN(c2nsc3ccccc23)C1.
What is the InChIKey of [1-(1,2-benzothiazol-3-yl)azetidin-3-yl]methanol?
The InChIKey is DOPIGMFKBZJCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c14-7-8-5-13(6-8)11-9-3-1-2-4-10(9)15-12-11/h1-4,8,14H,5-7H2.
What are the key properties of [1-(1,2-benzothiazol-3-yl)azetidin-3-yl]methanol?
[1-(1,2-benzothiazol-3-yl)azetidin-3-yl]methanol has a molecular weight of 220.30 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,2-benzothiazol-3-yl)azetidin-3-yl]methanol is sourced from PubChem (CID 71650110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).