1-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]azetidin-3-ol

C11H9F3N2OS — CID 71778991

IUPAC1-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]azetidin-3-ol
SMILESOC1CN(c2nc3c(C(F)(F)F)cccc3s2)C1
InChIInChI=1S/C11H9F3N2OS/c12-11(13,14)7-2-1-3-8-9(7)15-10(18-8)16-4-6(17)5-16/h1-3,6,17H,4-5H2
InChIKeyLSKLJJABNGJPAX-UHFFFAOYSA-N
MW274.27 g/mol
LogP2.50
Rot. Bonds1

About 1-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]azetidin-3-ol

1-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]azetidin-3-ol (PubChem CID 71778991) has the molecular formula C11H9F3N2OS and a molecular weight of 274.27 g/mol. Its IUPAC name is 1-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]azetidin-3-ol.

Molecular Properties

Compound Name1-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]azetidin-3-ol
PubChem CID71778991
Molecular FormulaC11H9F3N2OS
Molecular Weight274.27 g/mol
Exact Mass274.04
IUPAC Name1-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]azetidin-3-ol
SMILESOC1CN(c2nc3c(C(F)(F)F)cccc3s2)C1
InChIInChI=1S/C11H9F3N2OS/c12-11(13,14)7-2-1-3-8-9(7)15-10(18-8)16-4-6(17)5-16/h1-3,6,17H,4-5H2
InChIKeyLSKLJJABNGJPAX-UHFFFAOYSA-N
XLogP2.50
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]azetidin-3-ol?
The IUPAC name of 1-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]azetidin-3-ol (CID 71778991) is 1-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]azetidin-3-ol.
What is the SMILES notation for 1-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]azetidin-3-ol?
The canonical SMILES for 1-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]azetidin-3-ol is OC1CN(c2nc3c(C(F)(F)F)cccc3s2)C1.
What is the InChIKey of 1-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]azetidin-3-ol?
The InChIKey is LSKLJJABNGJPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2OS/c12-11(13,14)7-2-1-3-8-9(7)15-10(18-8)16-4-6(17)5-16/h1-3,6,17H,4-5H2.
What are the key properties of 1-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]azetidin-3-ol?
1-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]azetidin-3-ol has a molecular weight of 274.27 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]azetidin-3-ol is sourced from PubChem (CID 71778991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).