5-methyl-3-(2,2,2-trifluoroethoxy)-1,2-thiazole

C6H6F3NOS — CID 90278794

IUPAC5-methyl-3-(2,2,2-trifluoroethoxy)-1,2-thiazole
SMILESCc1cc(OCC(F)(F)F)ns1
InChIInChI=1S/C6H6F3NOS/c1-4-2-5(10-12-4)11-3-6(7,8)9/h2H,3H2,1H3
InChIKeyOXENGRBEGBAAKM-UHFFFAOYSA-N
MW197.18 g/mol
LogP2.39
Rot. Bonds2

About 5-methyl-3-(2,2,2-trifluoroethoxy)-1,2-thiazole

5-methyl-3-(2,2,2-trifluoroethoxy)-1,2-thiazole (PubChem CID 90278794) has the molecular formula C6H6F3NOS and a molecular weight of 197.18 g/mol. Its IUPAC name is 5-methyl-3-(2,2,2-trifluoroethoxy)-1,2-thiazole.

Molecular Properties

Compound Name5-methyl-3-(2,2,2-trifluoroethoxy)-1,2-thiazole
PubChem CID90278794
Molecular FormulaC6H6F3NOS
Molecular Weight197.18 g/mol
Exact Mass197.01
IUPAC Name5-methyl-3-(2,2,2-trifluoroethoxy)-1,2-thiazole
SMILESCc1cc(OCC(F)(F)F)ns1
InChIInChI=1S/C6H6F3NOS/c1-4-2-5(10-12-4)11-3-6(7,8)9/h2H,3H2,1H3
InChIKeyOXENGRBEGBAAKM-UHFFFAOYSA-N
XLogP2.39
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.18
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(2,2,2-trifluoroethoxy)-1,2-thiazole?
The IUPAC name of 5-methyl-3-(2,2,2-trifluoroethoxy)-1,2-thiazole (CID 90278794) is 5-methyl-3-(2,2,2-trifluoroethoxy)-1,2-thiazole.
What is the SMILES notation for 5-methyl-3-(2,2,2-trifluoroethoxy)-1,2-thiazole?
The canonical SMILES for 5-methyl-3-(2,2,2-trifluoroethoxy)-1,2-thiazole is Cc1cc(OCC(F)(F)F)ns1.
What is the InChIKey of 5-methyl-3-(2,2,2-trifluoroethoxy)-1,2-thiazole?
The InChIKey is OXENGRBEGBAAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3NOS/c1-4-2-5(10-12-4)11-3-6(7,8)9/h2H,3H2,1H3.
What are the key properties of 5-methyl-3-(2,2,2-trifluoroethoxy)-1,2-thiazole?
5-methyl-3-(2,2,2-trifluoroethoxy)-1,2-thiazole has a molecular weight of 197.18 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(2,2,2-trifluoroethoxy)-1,2-thiazole is sourced from PubChem (CID 90278794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).