4-(1,3-benzothiazol-2-yl)-2-(trifluoromethyl)morpholine

C12H11F3N2OS — CID 56868855

IUPAC4-(1,3-benzothiazol-2-yl)-2-(trifluoromethyl)morpholine
SMILESFC(F)(F)C1CN(c2nc3ccccc3s2)CCO1
InChIInChI=1S/C12H11F3N2OS/c13-12(14,15)10-7-17(5-6-18-10)11-16-8-3-1-2-4-9(8)19-11/h1-4,10H,5-7H2
InChIKeyWOVSGGLFQFUYHB-UHFFFAOYSA-N
MW288.29 g/mol
LogP3.06
Rot. Bonds1

About 4-(1,3-benzothiazol-2-yl)-2-(trifluoromethyl)morpholine

4-(1,3-benzothiazol-2-yl)-2-(trifluoromethyl)morpholine (PubChem CID 56868855) has the molecular formula C12H11F3N2OS and a molecular weight of 288.29 g/mol. Its IUPAC name is 4-(1,3-benzothiazol-2-yl)-2-(trifluoromethyl)morpholine.

Molecular Properties

Compound Name4-(1,3-benzothiazol-2-yl)-2-(trifluoromethyl)morpholine
PubChem CID56868855
Molecular FormulaC12H11F3N2OS
Molecular Weight288.29 g/mol
Exact Mass288.05
IUPAC Name4-(1,3-benzothiazol-2-yl)-2-(trifluoromethyl)morpholine
SMILESFC(F)(F)C1CN(c2nc3ccccc3s2)CCO1
InChIInChI=1S/C12H11F3N2OS/c13-12(14,15)10-7-17(5-6-18-10)11-16-8-3-1-2-4-9(8)19-11/h1-4,10H,5-7H2
InChIKeyWOVSGGLFQFUYHB-UHFFFAOYSA-N
XLogP3.06
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.29
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(1,3-benzothiazol-2-yl)-2-(trifluoromethyl)morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzothiazol-2-yl)-2-(trifluoromethyl)morpholine?
The IUPAC name of 4-(1,3-benzothiazol-2-yl)-2-(trifluoromethyl)morpholine (CID 56868855) is 4-(1,3-benzothiazol-2-yl)-2-(trifluoromethyl)morpholine.
What is the SMILES notation for 4-(1,3-benzothiazol-2-yl)-2-(trifluoromethyl)morpholine?
The canonical SMILES for 4-(1,3-benzothiazol-2-yl)-2-(trifluoromethyl)morpholine is FC(F)(F)C1CN(c2nc3ccccc3s2)CCO1.
What is the InChIKey of 4-(1,3-benzothiazol-2-yl)-2-(trifluoromethyl)morpholine?
The InChIKey is WOVSGGLFQFUYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2OS/c13-12(14,15)10-7-17(5-6-18-10)11-16-8-3-1-2-4-9(8)19-11/h1-4,10H,5-7H2.
What are the key properties of 4-(1,3-benzothiazol-2-yl)-2-(trifluoromethyl)morpholine?
4-(1,3-benzothiazol-2-yl)-2-(trifluoromethyl)morpholine has a molecular weight of 288.29 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzothiazol-2-yl)-2-(trifluoromethyl)morpholine is sourced from PubChem (CID 56868855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).