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

C12H15F3N2O2S — CID 106782580

IUPAC(4-propylmorpholin-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
SMILESCCCN1CCOC(C(=O)c2cnc(C(F)(F)F)s2)C1
InChIInChI=1S/C12H15F3N2O2S/c1-2-3-17-4-5-19-8(7-17)10(18)9-6-16-11(20-9)12(13,14)15/h6,8H,2-5,7H2,1H3
InChIKeyALDOJYAAPBRAPG-UHFFFAOYSA-N
MW308.33 g/mol
LogP2.46
Rot. Bonds4

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

(4-propylmorpholin-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone (PubChem CID 106782580) has the molecular formula C12H15F3N2O2S and a molecular weight of 308.33 g/mol. Its IUPAC name is (4-propylmorpholin-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name(4-propylmorpholin-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
PubChem CID106782580
Molecular FormulaC12H15F3N2O2S
Molecular Weight308.33 g/mol
Exact Mass308.08
IUPAC Name(4-propylmorpholin-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
SMILESCCCN1CCOC(C(=O)c2cnc(C(F)(F)F)s2)C1
InChIInChI=1S/C12H15F3N2O2S/c1-2-3-17-4-5-19-8(7-17)10(18)9-6-16-11(20-9)12(13,14)15/h6,8H,2-5,7H2,1H3
InChIKeyALDOJYAAPBRAPG-UHFFFAOYSA-N
XLogP2.46
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
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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Related Compounds

1-(2-Ethenyl-1,3-thiazol-5-yl)-2-ethoxyethanone;1,1,1-trifluoroethane
CID 142920659
2-Methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
CID 106782452
2-Propoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
CID 106782460
2-Ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
CID 106782500
Oxolan-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782517
2-Ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
CID 106782538
2-Methyl-2-morpholin-4-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
CID 106782555
2-Methyl-2-morpholin-4-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one
CID 106782561
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782573
2-Methoxy-2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
CID 106782574
2-Methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
CID 106782578
(4-Ethylmorpholin-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782579

Frequently Asked Questions

What is the IUPAC name of (4-propylmorpholin-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The IUPAC name of (4-propylmorpholin-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone (CID 106782580) is (4-propylmorpholin-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for (4-propylmorpholin-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The canonical SMILES for (4-propylmorpholin-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone is CCCN1CCOC(C(=O)c2cnc(C(F)(F)F)s2)C1.
What is the InChIKey of (4-propylmorpholin-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The InChIKey is ALDOJYAAPBRAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2S/c1-2-3-17-4-5-19-8(7-17)10(18)9-6-16-11(20-9)12(13,14)15/h6,8H,2-5,7H2,1H3.
What are the key properties of (4-propylmorpholin-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
(4-propylmorpholin-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone has a molecular weight of 308.33 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propylmorpholin-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 106782580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).