5-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole

C8H10F3NOS — CID 103151268

IUPAC5-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole
SMILESCc1cnc(CCOCC(F)(F)F)s1
InChIInChI=1S/C8H10F3NOS/c1-6-4-12-7(14-6)2-3-13-5-8(9,10)11/h4H,2-3,5H2,1H3
InChIKeyBYDULSIZPRWUKJ-UHFFFAOYSA-N
MW225.23 g/mol
LogP2.57
Rot. Bonds4

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

5-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole (PubChem CID 103151268) has the molecular formula C8H10F3NOS and a molecular weight of 225.23 g/mol. Its IUPAC name is 5-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole.

Molecular Properties

Compound Name5-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole
PubChem CID103151268
Molecular FormulaC8H10F3NOS
Molecular Weight225.23 g/mol
Exact Mass225.04
IUPAC Name5-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole
SMILESCc1cnc(CCOCC(F)(F)F)s1
InChIInChI=1S/C8H10F3NOS/c1-6-4-12-7(14-6)2-3-13-5-8(9,10)11/h4H,2-3,5H2,1H3
InChIKeyBYDULSIZPRWUKJ-UHFFFAOYSA-N
XLogP2.57
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.23
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole?
The IUPAC name of 5-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole (CID 103151268) is 5-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole.
What is the SMILES notation for 5-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole?
The canonical SMILES for 5-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole is Cc1cnc(CCOCC(F)(F)F)s1.
What is the InChIKey of 5-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole?
The InChIKey is BYDULSIZPRWUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NOS/c1-6-4-12-7(14-6)2-3-13-5-8(9,10)11/h4H,2-3,5H2,1H3.
What are the key properties of 5-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole?
5-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole has a molecular weight of 225.23 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole is sourced from PubChem (CID 103151268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).