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

C13H13F3N2OS — CID 66434796

IUPAC2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]morpholine
SMILESFC(F)(F)c1ccc2sc(CC3CNCCO3)nc2c1
InChIInChI=1S/C13H13F3N2OS/c14-13(15,16)8-1-2-11-10(5-8)18-12(20-11)6-9-7-17-3-4-19-9/h1-2,5,9,17H,3-4,6-7H2
InChIKeySKOAQFIOXQNKGY-UHFFFAOYSA-N
MW302.32 g/mol
LogP2.85
Rot. Bonds2

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

2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]morpholine (PubChem CID 66434796) has the molecular formula C13H13F3N2OS and a molecular weight of 302.32 g/mol. Its IUPAC name is 2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]morpholine.

Molecular Properties

Compound Name2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]morpholine
PubChem CID66434796
Molecular FormulaC13H13F3N2OS
Molecular Weight302.32 g/mol
Exact Mass302.07
IUPAC Name2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]morpholine
SMILESFC(F)(F)c1ccc2sc(CC3CNCCO3)nc2c1
InChIInChI=1S/C13H13F3N2OS/c14-13(15,16)8-1-2-11-10(5-8)18-12(20-11)6-9-7-17-3-4-19-9/h1-2,5,9,17H,3-4,6-7H2
InChIKeySKOAQFIOXQNKGY-UHFFFAOYSA-N
XLogP2.85
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.32
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]morpholine
CID 79512215
2-(2-piperidin-4-ylethyl)-5-(trifluoromethyl)-1,3-benzothiazole
CID 62215876
2-[(3S)-pyrrolidin-3-yl]-5-(trifluoromethyl)-1,3-benzothiazole
CID 94917639
2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]ethanamine;hydrochloride
CID 155821832
N-(1,4-dioxan-2-ylmethyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine
CID 61024765
2-morpholin-2-yl-5-(trifluoromethyl)-1,3-benzoxazole
CID 81197827
1,1,1-trifluoro-3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]propan-2-ol
CID 79872287
2-methyl-N-[2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]ethyl]propan-2-amine
CID 60835878
N-methyl-3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]propan-1-amine
CID 43152023
N-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]aniline
CID 60835722
2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]morpholine
CID 64534066
N-(1,3-benzothiazol-2-ylmethyl)-2-[(2R)-morpholin-2-yl]acetamide
CID 124515478

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]morpholine?
The IUPAC name of 2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]morpholine (CID 66434796) is 2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]morpholine.
What is the SMILES notation for 2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]morpholine?
The canonical SMILES for 2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]morpholine is FC(F)(F)c1ccc2sc(CC3CNCCO3)nc2c1.
What is the InChIKey of 2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]morpholine?
The InChIKey is SKOAQFIOXQNKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2OS/c14-13(15,16)8-1-2-11-10(5-8)18-12(20-11)6-9-7-17-3-4-19-9/h1-2,5,9,17H,3-4,6-7H2.
What are the key properties of 2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]morpholine?
2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]morpholine has a molecular weight of 302.32 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]morpholine is sourced from PubChem (CID 66434796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).