(4-propan-2-ylmorpholin-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone

C12H15F3N2O2S — CID 106782581

IUPAC(4-propan-2-ylmorpholin-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
SMILESCC(C)N1CCOC(C(=O)c2cnc(C(F)(F)F)s2)C1
InChIInChI=1S/C12H15F3N2O2S/c1-7(2)17-3-4-19-8(6-17)10(18)9-5-16-11(20-9)12(13,14)15/h5,7-8H,3-4,6H2,1-2H3
InChIKeyBRQPWYJGGPUIKU-UHFFFAOYSA-N
MW308.33 g/mol
LogP2.45
Rot. Bonds3

About (4-propan-2-ylmorpholin-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone

(4-propan-2-ylmorpholin-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone (PubChem CID 106782581) has the molecular formula C12H15F3N2O2S and a molecular weight of 308.33 g/mol. Its IUPAC name is (4-propan-2-ylmorpholin-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name(4-propan-2-ylmorpholin-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
PubChem CID106782581
Molecular FormulaC12H15F3N2O2S
Molecular Weight308.33 g/mol
Exact Mass308.08
IUPAC Name(4-propan-2-ylmorpholin-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
SMILESCC(C)N1CCOC(C(=O)c2cnc(C(F)(F)F)s2)C1
InChIInChI=1S/C12H15F3N2O2S/c1-7(2)17-3-4-19-8(6-17)10(18)9-5-16-11(20-9)12(13,14)15/h5,7-8H,3-4,6H2,1-2H3
InChIKeyBRQPWYJGGPUIKU-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-fluorophenyl)-(4-propan-2-ylmorpholin-2-yl)methanone
CID 79658227
(2,3-difluoro-4-methylphenyl)-(4-propan-2-ylmorpholin-2-yl)methanone
CID 107512705
2,3-dihydro-1,4-benzoxathiin-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782705
cyclopentyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782444
2-(1,3-dioxolan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
CID 106785008
azetidin-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106784725
3-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one
CID 106782430
(4-propan-2-ylmorpholin-2-yl)-quinolin-6-ylmethanone
CID 81198472
(7-fluoro-1-benzofuran-2-yl)-(4-propan-2-ylmorpholin-2-yl)methanone
CID 114725740
thiolan-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106784865
2-methyl-2-piperidin-1-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
CID 106782554
2-(5-bromothiophen-2-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone
CID 79657983

Frequently Asked Questions

What is the IUPAC name of (4-propan-2-ylmorpholin-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The IUPAC name of (4-propan-2-ylmorpholin-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone (CID 106782581) is (4-propan-2-ylmorpholin-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for (4-propan-2-ylmorpholin-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The canonical SMILES for (4-propan-2-ylmorpholin-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone is CC(C)N1CCOC(C(=O)c2cnc(C(F)(F)F)s2)C1.
What is the InChIKey of (4-propan-2-ylmorpholin-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The InChIKey is BRQPWYJGGPUIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2S/c1-7(2)17-3-4-19-8(6-17)10(18)9-5-16-11(20-9)12(13,14)15/h5,7-8H,3-4,6H2,1-2H3.
What are the key properties of (4-propan-2-ylmorpholin-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
(4-propan-2-ylmorpholin-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone has a molecular weight of 308.33 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-ylmorpholin-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 106782581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).