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

C13H17F3N2O2S — CID 106782561

IUPAC2-methyl-2-morpholin-4-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one
SMILESCCC(C)(C(=O)c1cnc(C(F)(F)F)s1)N1CCOCC1
InChIInChI=1S/C13H17F3N2O2S/c1-3-12(2,18-4-6-20-7-5-18)10(19)9-8-17-11(21-9)13(14,15)16/h8H,3-7H2,1-2H3
InChIKeyGUBADYWJIVMNOP-UHFFFAOYSA-N
MW322.35 g/mol
LogP2.85
Rot. Bonds4

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

2-methyl-2-morpholin-4-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one (PubChem CID 106782561) has the molecular formula C13H17F3N2O2S and a molecular weight of 322.35 g/mol. Its IUPAC name is 2-methyl-2-morpholin-4-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one.

Molecular Properties

Compound Name2-methyl-2-morpholin-4-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one
PubChem CID106782561
Molecular FormulaC13H17F3N2O2S
Molecular Weight322.35 g/mol
Exact Mass322.10
IUPAC Name2-methyl-2-morpholin-4-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one
SMILESCCC(C)(C(=O)c1cnc(C(F)(F)F)s1)N1CCOCC1
InChIInChI=1S/C13H17F3N2O2S/c1-3-12(2,18-4-6-20-7-5-18)10(19)9-8-17-11(21-9)13(14,15)16/h8H,3-7H2,1-2H3
InChIKeyGUBADYWJIVMNOP-UHFFFAOYSA-N
XLogP2.85
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.35
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Oxan-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782519
2-(Dimethylamino)-2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
CID 106782552
2-Methyl-2-pyrrolidin-1-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
CID 106782553
2-Methyl-2-piperidin-1-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
CID 106782554
2-Methyl-2-morpholin-4-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
CID 106782555
2-(Azepan-1-yl)-2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
CID 106782556
2-(Dimethylamino)-2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one
CID 106782557
2-(Diethylamino)-2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one
CID 106782558
2-Methyl-2-pyrrolidin-1-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one
CID 106782559
2-Methyl-2-piperidin-1-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one
CID 106782560
2-(Diethylamino)-2-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one
CID 106782562
2-Ethyl-2-pyrrolidin-1-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one
CID 106782563

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-morpholin-4-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one?
The IUPAC name of 2-methyl-2-morpholin-4-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one (CID 106782561) is 2-methyl-2-morpholin-4-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one.
What is the SMILES notation for 2-methyl-2-morpholin-4-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one?
The canonical SMILES for 2-methyl-2-morpholin-4-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one is CCC(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]butan-1-one?
The InChIKey is GUBADYWJIVMNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2S/c1-3-12(2,18-4-6-20-7-5-18)10(19)9-8-17-11(21-9)13(14,15)16/h8H,3-7H2,1-2H3.
What are the key properties of 2-methyl-2-morpholin-4-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one?
2-methyl-2-morpholin-4-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one has a molecular weight of 322.35 g/mol, XLogP of 2.85, 4 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]butan-1-one is sourced from PubChem (CID 106782561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).