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

C9H8F3NO2S2 — CID 106782584

IUPAC1,4-oxathian-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
SMILESO=C(c1cnc(C(F)(F)F)s1)C1CSCCO1
InChIInChI=1S/C9H8F3NO2S2/c10-9(11,12)8-13-3-6(17-8)7(14)5-4-16-2-1-15-5/h3,5H,1-2,4H2
InChIKeyCSNSAFVLXCWXFA-UHFFFAOYSA-N
MW283.30 g/mol
LogP2.48
Rot. Bonds2

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

1,4-oxathian-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone (PubChem CID 106782584) has the molecular formula C9H8F3NO2S2 and a molecular weight of 283.30 g/mol. Its IUPAC name is 1,4-oxathian-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name1,4-oxathian-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
PubChem CID106782584
Molecular FormulaC9H8F3NO2S2
Molecular Weight283.30 g/mol
Exact Mass282.99
IUPAC Name1,4-oxathian-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
SMILESO=C(c1cnc(C(F)(F)F)s1)C1CSCCO1
InChIInChI=1S/C9H8F3NO2S2/c10-9(11,12)8-13-3-6(17-8)7(14)5-4-16-2-1-15-5/h3,5H,1-2,4H2
InChIKeyCSNSAFVLXCWXFA-UHFFFAOYSA-N
XLogP2.48
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 52.48
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
1-[2-(2,2,2-Trifluoroethoxy)-1,3-thiazol-5-yl]propan-1-one
CID 174708921
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
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
2,2-Dimethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
CID 106782576
2,2-Diethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
CID 106782577
2-Methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
CID 106782578

Frequently Asked Questions

What is the IUPAC name of 1,4-oxathian-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The IUPAC name of 1,4-oxathian-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone (CID 106782584) is 1,4-oxathian-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for 1,4-oxathian-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The canonical SMILES for 1,4-oxathian-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone is O=C(c1cnc(C(F)(F)F)s1)C1CSCCO1.
What is the InChIKey of 1,4-oxathian-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The InChIKey is CSNSAFVLXCWXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO2S2/c10-9(11,12)8-13-3-6(17-8)7(14)5-4-16-2-1-15-5/h3,5H,1-2,4H2.
What are the key properties of 1,4-oxathian-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
1,4-oxathian-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone has a molecular weight of 283.30 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-oxathian-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 106782584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).