ethane;2-phenoxy-4-(trifluoromethyl)-1,3-thiazole

C12H12F3NOS — CID 176690970

IUPACethane;2-phenoxy-4-(trifluoromethyl)-1,3-thiazole
SMILESCC.FC(F)(F)c1csc(Oc2ccccc2)n1
InChIInChI=1S/C10H6F3NOS.C2H6/c11-10(12,13)8-6-16-9(14-8)15-7-4-2-1-3-5-7;1-2/h1-6H;1-2H3
InChIKeyIMTGOLRUQYWKAI-UHFFFAOYSA-N
MW275.30 g/mol
LogP4.98
Rot. Bonds2

About ethane;2-phenoxy-4-(trifluoromethyl)-1,3-thiazole

ethane;2-phenoxy-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 176690970) has the molecular formula C12H12F3NOS and a molecular weight of 275.30 g/mol. Its IUPAC name is ethane;2-phenoxy-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Nameethane;2-phenoxy-4-(trifluoromethyl)-1,3-thiazole
PubChem CID176690970
Molecular FormulaC12H12F3NOS
Molecular Weight275.30 g/mol
Exact Mass275.06
IUPAC Nameethane;2-phenoxy-4-(trifluoromethyl)-1,3-thiazole
SMILESCC.FC(F)(F)c1csc(Oc2ccccc2)n1
InChIInChI=1S/C10H6F3NOS.C2H6/c11-10(12,13)8-6-16-9(14-8)15-7-4-2-1-3-5-7;1-2/h1-6H;1-2H3
InChIKeyIMTGOLRUQYWKAI-UHFFFAOYSA-N
XLogP4.98
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;2-phenoxy-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of ethane;2-phenoxy-4-(trifluoromethyl)-1,3-thiazole (CID 176690970) is ethane;2-phenoxy-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for ethane;2-phenoxy-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for ethane;2-phenoxy-4-(trifluoromethyl)-1,3-thiazole is CC.FC(F)(F)c1csc(Oc2ccccc2)n1.
What is the InChIKey of ethane;2-phenoxy-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is IMTGOLRUQYWKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3NOS.C2H6/c11-10(12,13)8-6-16-9(14-8)15-7-4-2-1-3-5-7;1-2/h1-6H;1-2H3.
What are the key properties of ethane;2-phenoxy-4-(trifluoromethyl)-1,3-thiazole?
ethane;2-phenoxy-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 275.30 g/mol, XLogP of 4.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-phenoxy-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 176690970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).