2-(2-methyl-1,3-thiazol-4-yl)-1-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethanone

C11H13F3N2O2S — CID 95870117

IUPAC2-(2-methyl-1,3-thiazol-4-yl)-1-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethanone
SMILESCc1nc(CC(=O)N2CCO[C@H](C(F)(F)F)C2)cs1
InChIInChI=1S/C11H13F3N2O2S/c1-7-15-8(6-19-7)4-10(17)16-2-3-18-9(5-16)11(12,13)14/h6,9H,2-5H2,1H3/t9-/m0/s1
InChIKeyUURWFVSOQRHPHY-VIFPVBQESA-N
MW294.30 g/mol
LogP1.78
Rot. Bonds2

About 2-(2-methyl-1,3-thiazol-4-yl)-1-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethanone

2-(2-methyl-1,3-thiazol-4-yl)-1-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethanone (PubChem CID 95870117) has the molecular formula C11H13F3N2O2S and a molecular weight of 294.30 g/mol. Its IUPAC name is 2-(2-methyl-1,3-thiazol-4-yl)-1-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(2-methyl-1,3-thiazol-4-yl)-1-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethanone
PubChem CID95870117
Molecular FormulaC11H13F3N2O2S
Molecular Weight294.30 g/mol
Exact Mass294.06
IUPAC Name2-(2-methyl-1,3-thiazol-4-yl)-1-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethanone
SMILESCc1nc(CC(=O)N2CCO[C@H](C(F)(F)F)C2)cs1
InChIInChI=1S/C11H13F3N2O2S/c1-7-15-8(6-19-7)4-10(17)16-2-3-18-9(5-16)11(12,13)14/h6,9H,2-5H2,1H3/t9-/m0/s1
InChIKeyUURWFVSOQRHPHY-VIFPVBQESA-N
XLogP1.78
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Morpholin-4-yl-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone
CID 45819394
Ethyl 2-[[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]-(2-methylpropyl)amino]acetate
CID 53519898
1-(2,5-Dimethylmorpholin-4-yl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone
CID 53527424
N-(2-methoxyethyl)-N-(3-methoxypropyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 60538070
(3S)-3-ethyl-4-[(2-methyl-1,3-thiazol-4-yl)acetyl]morpholine
CID 70724854
N-[(2S)-1-morpholin-4-ylpropan-2-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 94025992
1-(3,9-Dioxa-7-azabicyclo[3.3.1]nonan-7-yl)-2-(4-ethyl-1,3-thiazol-2-yl)ethanone
CID 128286395
2-(2-Methyl-1,3-thiazol-4-yl)-1-morpholin-4-ylethanone
CID 47005401
N-(2,2-dimethylpropyl)-2-(2-methyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 56786558
4-[(2-Methyl-1,3-thiazol-4-yl)acetyl]-2-(trifluoromethyl)morpholine
CID 70735143
1-[4-[2,2-Difluoroethyl(methyl)amino]piperidin-1-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone
CID 72121131
1-[3-(4-Methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)propan-1-one
CID 72124092

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-1-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethanone?
The IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-1-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethanone (CID 95870117) is 2-(2-methyl-1,3-thiazol-4-yl)-1-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethanone.
What is the SMILES notation for 2-(2-methyl-1,3-thiazol-4-yl)-1-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethanone?
The canonical SMILES for 2-(2-methyl-1,3-thiazol-4-yl)-1-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethanone is Cc1nc(CC(=O)N2CCO[C@H](C(F)(F)F)C2)cs1.
What is the InChIKey of 2-(2-methyl-1,3-thiazol-4-yl)-1-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethanone?
The InChIKey is UURWFVSOQRHPHY-VIFPVBQESA-N. The full InChI is InChI=1S/C11H13F3N2O2S/c1-7-15-8(6-19-7)4-10(17)16-2-3-18-9(5-16)11(12,13)14/h6,9H,2-5H2,1H3/t9-/m0/s1.
What are the key properties of 2-(2-methyl-1,3-thiazol-4-yl)-1-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethanone?
2-(2-methyl-1,3-thiazol-4-yl)-1-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethanone has a molecular weight of 294.30 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-thiazol-4-yl)-1-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethanone is sourced from PubChem (CID 95870117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).