morpholin-4-yl-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methanone

C13H11F3N2O2S — CID 127045667

IUPACmorpholin-4-yl-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methanone
SMILESO=C(c1nc2cc(C(F)(F)F)ccc2s1)N1CCOCC1
InChIInChI=1S/C13H11F3N2O2S/c14-13(15,16)8-1-2-10-9(7-8)17-11(21-10)12(19)18-3-5-20-6-4-18/h1-2,7H,3-6H2
InChIKeyUGTVMNBYMJPGSL-UHFFFAOYSA-N
MW316.30 g/mol
LogP2.79
Rot. Bonds1

About morpholin-4-yl-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methanone

morpholin-4-yl-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methanone (PubChem CID 127045667) has the molecular formula C13H11F3N2O2S and a molecular weight of 316.30 g/mol. Its IUPAC name is morpholin-4-yl-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methanone
PubChem CID127045667
Molecular FormulaC13H11F3N2O2S
Molecular Weight316.30 g/mol
Exact Mass316.05
IUPAC Namemorpholin-4-yl-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methanone
SMILESO=C(c1nc2cc(C(F)(F)F)ccc2s1)N1CCOCC1
InChIInChI=1S/C13H11F3N2O2S/c14-13(15,16)8-1-2-10-9(7-8)17-11(21-10)12(19)18-3-5-20-6-4-18/h1-2,7H,3-6H2
InChIKeyUGTVMNBYMJPGSL-UHFFFAOYSA-N
XLogP2.79
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.30
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methanone?
The IUPAC name of morpholin-4-yl-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methanone (CID 127045667) is morpholin-4-yl-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methanone?
The canonical SMILES for morpholin-4-yl-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methanone is O=C(c1nc2cc(C(F)(F)F)ccc2s1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methanone?
The InChIKey is UGTVMNBYMJPGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O2S/c14-13(15,16)8-1-2-10-9(7-8)17-11(21-10)12(19)18-3-5-20-6-4-18/h1-2,7H,3-6H2.
What are the key properties of morpholin-4-yl-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methanone?
morpholin-4-yl-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methanone has a molecular weight of 316.30 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methanone is sourced from PubChem (CID 127045667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).