5-(2-methoxyethyl)-4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazole

C9H12F3NOS — CID 174360006

IUPAC5-(2-methoxyethyl)-4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazole
SMILESCOCCc1sc(CC(F)(F)F)nc1C
InChIInChI=1S/C9H12F3NOS/c1-6-7(3-4-14-2)15-8(13-6)5-9(10,11)12/h3-5H2,1-2H3
InChIKeyMRYJSNMYUAAEFI-UHFFFAOYSA-N
MW239.26 g/mol
LogP2.75
Rot. Bonds4

About 5-(2-methoxyethyl)-4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazole

5-(2-methoxyethyl)-4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazole (PubChem CID 174360006) has the molecular formula C9H12F3NOS and a molecular weight of 239.26 g/mol. Its IUPAC name is 5-(2-methoxyethyl)-4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(2-methoxyethyl)-4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazole
PubChem CID174360006
Molecular FormulaC9H12F3NOS
Molecular Weight239.26 g/mol
Exact Mass239.06
IUPAC Name5-(2-methoxyethyl)-4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazole
SMILESCOCCc1sc(CC(F)(F)F)nc1C
InChIInChI=1S/C9H12F3NOS/c1-6-7(3-4-14-2)15-8(13-6)5-9(10,11)12/h3-5H2,1-2H3
InChIKeyMRYJSNMYUAAEFI-UHFFFAOYSA-N
XLogP2.75
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethyl)-4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazole?
The IUPAC name of 5-(2-methoxyethyl)-4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazole (CID 174360006) is 5-(2-methoxyethyl)-4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazole.
What is the SMILES notation for 5-(2-methoxyethyl)-4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazole?
The canonical SMILES for 5-(2-methoxyethyl)-4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazole is COCCc1sc(CC(F)(F)F)nc1C.
What is the InChIKey of 5-(2-methoxyethyl)-4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazole?
The InChIKey is MRYJSNMYUAAEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NOS/c1-6-7(3-4-14-2)15-8(13-6)5-9(10,11)12/h3-5H2,1-2H3.
What are the key properties of 5-(2-methoxyethyl)-4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazole?
5-(2-methoxyethyl)-4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazole has a molecular weight of 239.26 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethyl)-4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazole is sourced from PubChem (CID 174360006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).