2-thiophen-2-yl-4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]morpholine

C16H13F3N2OS2 — CID 133363493

IUPAC2-thiophen-2-yl-4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]morpholine
SMILESFC(F)(F)c1ccc2sc(N3CCOC(c4cccs4)C3)nc2c1
InChIInChI=1S/C16H13F3N2OS2/c17-16(18,19)10-3-4-13-11(8-10)20-15(24-13)21-5-6-22-12(9-21)14-2-1-7-23-14/h1-4,7-8,12H,5-6,9H2
InChIKeyCRGYYTNXEGGVNW-UHFFFAOYSA-N
MW370.42 g/mol
LogP4.95
Rot. Bonds2

About 2-thiophen-2-yl-4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]morpholine

2-thiophen-2-yl-4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]morpholine (PubChem CID 133363493) has the molecular formula C16H13F3N2OS2 and a molecular weight of 370.42 g/mol. Its IUPAC name is 2-thiophen-2-yl-4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]morpholine.

Molecular Properties

Compound Name2-thiophen-2-yl-4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]morpholine
PubChem CID133363493
Molecular FormulaC16H13F3N2OS2
Molecular Weight370.42 g/mol
Exact Mass370.04
IUPAC Name2-thiophen-2-yl-4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]morpholine
SMILESFC(F)(F)c1ccc2sc(N3CCOC(c4cccs4)C3)nc2c1
InChIInChI=1S/C16H13F3N2OS2/c17-16(18,19)10-3-4-13-11(8-10)20-15(24-13)21-5-6-22-12(9-21)14-2-1-7-23-14/h1-4,7-8,12H,5-6,9H2
InChIKeyCRGYYTNXEGGVNW-UHFFFAOYSA-N
XLogP4.95
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]morpholine?
The IUPAC name of 2-thiophen-2-yl-4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]morpholine (CID 133363493) is 2-thiophen-2-yl-4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]morpholine.
What is the SMILES notation for 2-thiophen-2-yl-4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]morpholine?
The canonical SMILES for 2-thiophen-2-yl-4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]morpholine is FC(F)(F)c1ccc2sc(N3CCOC(c4cccs4)C3)nc2c1.
What is the InChIKey of 2-thiophen-2-yl-4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]morpholine?
The InChIKey is CRGYYTNXEGGVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2OS2/c17-16(18,19)10-3-4-13-11(8-10)20-15(24-13)21-5-6-22-12(9-21)14-2-1-7-23-14/h1-4,7-8,12H,5-6,9H2.
What are the key properties of 2-thiophen-2-yl-4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]morpholine?
2-thiophen-2-yl-4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]morpholine has a molecular weight of 370.42 g/mol, XLogP of 4.95, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]morpholine is sourced from PubChem (CID 133363493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).