2-methyl-2-morpholin-4-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one

C12H15F3N2O2S — CID 106782555

IUPAC2-methyl-2-morpholin-4-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
SMILESCC(C)(C(=O)c1cnc(C(F)(F)F)s1)N1CCOCC1
InChIInChI=1S/C12H15F3N2O2S/c1-11(2,17-3-5-19-6-4-17)9(18)8-7-16-10(20-8)12(13,14)15/h7H,3-6H2,1-2H3
InChIKeyAPVUUDPDOYYTHX-UHFFFAOYSA-N
MW308.33 g/mol
LogP2.46
Rot. Bonds3

About 2-methyl-2-morpholin-4-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one

2-methyl-2-morpholin-4-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one (PubChem CID 106782555) has the molecular formula C12H15F3N2O2S and a molecular weight of 308.33 g/mol. Its IUPAC name is 2-methyl-2-morpholin-4-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-2-morpholin-4-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
PubChem CID106782555
Molecular FormulaC12H15F3N2O2S
Molecular Weight308.33 g/mol
Exact Mass308.08
IUPAC Name2-methyl-2-morpholin-4-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
SMILESCC(C)(C(=O)c1cnc(C(F)(F)F)s1)N1CCOCC1
InChIInChI=1S/C12H15F3N2O2S/c1-11(2,17-3-5-19-6-4-17)9(18)8-7-16-10(20-8)12(13,14)15/h7H,3-6H2,1-2H3
InChIKeyAPVUUDPDOYYTHX-UHFFFAOYSA-N
XLogP2.46
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-morpholin-4-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one?
The IUPAC name of 2-methyl-2-morpholin-4-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one (CID 106782555) is 2-methyl-2-morpholin-4-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one.
What is the SMILES notation for 2-methyl-2-morpholin-4-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one?
The canonical SMILES for 2-methyl-2-morpholin-4-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one is CC(C)(C(=O)c1cnc(C(F)(F)F)s1)N1CCOCC1.
What is the InChIKey of 2-methyl-2-morpholin-4-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one?
The InChIKey is APVUUDPDOYYTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2S/c1-11(2,17-3-5-19-6-4-17)9(18)8-7-16-10(20-8)12(13,14)15/h7H,3-6H2,1-2H3.
What are the key properties of 2-methyl-2-morpholin-4-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one?
2-methyl-2-morpholin-4-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one has a molecular weight of 308.33 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-morpholin-4-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one is sourced from PubChem (CID 106782555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).