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

C9H8F3NO3S — CID 106784877

IUPAC1,4-dioxan-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
SMILESO=C(c1cnc(C(F)(F)F)s1)C1COCCO1
InChIInChI=1S/C9H8F3NO3S/c10-9(11,12)8-13-3-6(17-8)7(14)5-4-15-1-2-16-5/h3,5H,1-2,4H2
InChIKeyXPPDFOPWOVPRFM-UHFFFAOYSA-N
MW267.23 g/mol
LogP1.76
Rot. Bonds2

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

1,4-dioxan-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone (PubChem CID 106784877) has the molecular formula C9H8F3NO3S and a molecular weight of 267.23 g/mol. Its IUPAC name is 1,4-dioxan-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name1,4-dioxan-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
PubChem CID106784877
Molecular FormulaC9H8F3NO3S
Molecular Weight267.23 g/mol
Exact Mass267.02
IUPAC Name1,4-dioxan-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
SMILESO=C(c1cnc(C(F)(F)F)s1)C1COCCO1
InChIInChI=1S/C9H8F3NO3S/c10-9(11,12)8-13-3-6(17-8)7(14)5-4-15-1-2-16-5/h3,5H,1-2,4H2
InChIKeyXPPDFOPWOVPRFM-UHFFFAOYSA-N
XLogP1.76
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.23
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-Methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
CID 106782450
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
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
(4-Propylmorpholin-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782580
(4-Propan-2-ylmorpholin-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782581
1,4-Oxathian-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782584

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxan-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The IUPAC name of 1,4-dioxan-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone (CID 106784877) is 1,4-dioxan-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for 1,4-dioxan-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The canonical SMILES for 1,4-dioxan-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone is O=C(c1cnc(C(F)(F)F)s1)C1COCCO1.
What is the InChIKey of 1,4-dioxan-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The InChIKey is XPPDFOPWOVPRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO3S/c10-9(11,12)8-13-3-6(17-8)7(14)5-4-15-1-2-16-5/h3,5H,1-2,4H2.
What are the key properties of 1,4-dioxan-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
1,4-dioxan-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone has a molecular weight of 267.23 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxan-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 106784877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).