4-tert-butyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole

C10H14F3NOS — CID 104932543

IUPAC4-tert-butyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole
SMILESCC(C)(C)c1csc(COCC(F)(F)F)n1
InChIInChI=1S/C10H14F3NOS/c1-9(2,3)7-5-16-8(14-7)4-15-6-10(11,12)13/h5H,4,6H2,1-3H3
InChIKeyCXVOFVJYWIKLBI-UHFFFAOYSA-N
MW253.29 g/mol
LogP3.52
Rot. Bonds3

About 4-tert-butyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole

4-tert-butyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole (PubChem CID 104932543) has the molecular formula C10H14F3NOS and a molecular weight of 253.29 g/mol. Its IUPAC name is 4-tert-butyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-tert-butyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole
PubChem CID104932543
Molecular FormulaC10H14F3NOS
Molecular Weight253.29 g/mol
Exact Mass253.07
IUPAC Name4-tert-butyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole
SMILESCC(C)(C)c1csc(COCC(F)(F)F)n1
InChIInChI=1S/C10H14F3NOS/c1-9(2,3)7-5-16-8(14-7)4-15-6-10(11,12)13/h5H,4,6H2,1-3H3
InChIKeyCXVOFVJYWIKLBI-UHFFFAOYSA-N
XLogP3.52
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-tert-butyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one
CID 103214275
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-ol
CID 103216992
ethyl 2-methyl-2-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-4-yl]propanoate
CID 103473378
2-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-4-yl]acetonitrile
CID 103476673
1-(4-tert-butyl-1,3-thiazol-2-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine
CID 103312170
1-(4-tert-butyl-1,3-thiazol-2-yl)-5,5,5-trifluoropentan-2-one
CID 79954595
2-tert-butyl-6-(2,2,2-trifluoroethoxymethyl)pyridine
CID 20709426
2,2-dimethyl-3-[(4-methyl-1,3-thiazol-2-yl)methoxy]propan-1-ol
CID 81217768
4-tert-butyl-2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-1,3-thiazole
CID 115956684
1-(4-tert-butyl-1,3-thiazol-2-yl)-N-(2-methylpropoxy)methanamine
CID 82714724
2-[(6-bromo-3-pyridinyl)oxymethyl]-4-tert-butyl-1,3-thiazole
CID 103816184
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methoxypropan-2-amine
CID 79820516

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole?
The IUPAC name of 4-tert-butyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole (CID 104932543) is 4-tert-butyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole.
What is the SMILES notation for 4-tert-butyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole?
The canonical SMILES for 4-tert-butyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole is CC(C)(C)c1csc(COCC(F)(F)F)n1.
What is the InChIKey of 4-tert-butyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole?
The InChIKey is CXVOFVJYWIKLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NOS/c1-9(2,3)7-5-16-8(14-7)4-15-6-10(11,12)13/h5H,4,6H2,1-3H3.
What are the key properties of 4-tert-butyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole?
4-tert-butyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole has a molecular weight of 253.29 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole is sourced from PubChem (CID 104932543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).