3-ethyl-5-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methylsulfonylmethyl]-1,2-oxazole

C11H11F3N2O3S2 — CID 167896105

IUPAC3-ethyl-5-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methylsulfonylmethyl]-1,2-oxazole
SMILESCCc1cc(CS(=O)(=O)Cc2cnc(C(F)(F)F)s2)on1
InChIInChI=1S/C11H11F3N2O3S2/c1-2-7-3-8(19-16-7)5-21(17,18)6-9-4-15-10(20-9)11(12,13)14/h3-4H,2,5-6H2,1H3
InChIKeyBLVNVKLXWJTYOO-UHFFFAOYSA-N
MW340.35 g/mol
LogP2.83
Rot. Bonds5

About 3-ethyl-5-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methylsulfonylmethyl]-1,2-oxazole

3-ethyl-5-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methylsulfonylmethyl]-1,2-oxazole (PubChem CID 167896105) has the molecular formula C11H11F3N2O3S2 and a molecular weight of 340.35 g/mol. Its IUPAC name is 3-ethyl-5-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methylsulfonylmethyl]-1,2-oxazole.

Molecular Properties

Compound Name3-ethyl-5-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methylsulfonylmethyl]-1,2-oxazole
PubChem CID167896105
Molecular FormulaC11H11F3N2O3S2
Molecular Weight340.35 g/mol
Exact Mass340.02
IUPAC Name3-ethyl-5-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methylsulfonylmethyl]-1,2-oxazole
SMILESCCc1cc(CS(=O)(=O)Cc2cnc(C(F)(F)F)s2)on1
InChIInChI=1S/C11H11F3N2O3S2/c1-2-7-3-8(19-16-7)5-21(17,18)6-9-4-15-10(20-9)11(12,13)14/h3-4H,2,5-6H2,1H3
InChIKeyBLVNVKLXWJTYOO-UHFFFAOYSA-N
XLogP2.83
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methylsulfonylmethyl]-1,2-oxazole?
The IUPAC name of 3-ethyl-5-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methylsulfonylmethyl]-1,2-oxazole (CID 167896105) is 3-ethyl-5-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methylsulfonylmethyl]-1,2-oxazole.
What is the SMILES notation for 3-ethyl-5-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methylsulfonylmethyl]-1,2-oxazole?
The canonical SMILES for 3-ethyl-5-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methylsulfonylmethyl]-1,2-oxazole is CCc1cc(CS(=O)(=O)Cc2cnc(C(F)(F)F)s2)on1.
What is the InChIKey of 3-ethyl-5-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methylsulfonylmethyl]-1,2-oxazole?
The InChIKey is BLVNVKLXWJTYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O3S2/c1-2-7-3-8(19-16-7)5-21(17,18)6-9-4-15-10(20-9)11(12,13)14/h3-4H,2,5-6H2,1H3.
What are the key properties of 3-ethyl-5-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methylsulfonylmethyl]-1,2-oxazole?
3-ethyl-5-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methylsulfonylmethyl]-1,2-oxazole has a molecular weight of 340.35 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methylsulfonylmethyl]-1,2-oxazole is sourced from PubChem (CID 167896105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).