tert-butyl 2-[5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]acetate

C11H14F3NO2S — CID 53419966

IUPACtert-butyl 2-[5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]acetate
SMILESCc1sc(CC(=O)OC(C)(C)C)nc1C(F)(F)F
InChIInChI=1S/C11H14F3NO2S/c1-6-9(11(12,13)14)15-7(18-6)5-8(16)17-10(2,3)4/h5H2,1-4H3
InChIKeyKDMUMRLHDCATSE-UHFFFAOYSA-N
MW281.30 g/mol
LogP3.35
Rot. Bonds2

About tert-butyl 2-[5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]acetate

tert-butyl 2-[5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]acetate (PubChem CID 53419966) has the molecular formula C11H14F3NO2S and a molecular weight of 281.30 g/mol. Its IUPAC name is tert-butyl 2-[5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]acetate
PubChem CID53419966
Molecular FormulaC11H14F3NO2S
Molecular Weight281.30 g/mol
Exact Mass281.07
IUPAC Nametert-butyl 2-[5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]acetate
SMILESCc1sc(CC(=O)OC(C)(C)C)nc1C(F)(F)F
InChIInChI=1S/C11H14F3NO2S/c1-6-9(11(12,13)14)15-7(18-6)5-8(16)17-10(2,3)4/h5H2,1-4H3
InChIKeyKDMUMRLHDCATSE-UHFFFAOYSA-N
XLogP3.35
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Sodium 2-(dimethyl-1,3-thiazol-2-yl)acetate
CID 47003310
Ethyl 2-(dimethyl-1,3-thiazol-2-YL)acetate
CID 60675946
2-Thiazoleacetic acid, 4,5-dimethyl-
CID 19845521
Tert-butyl 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetate
CID 53419952
3-(4,5-Dimethyl-1,3-thiazol-2-yl)-1,1,1-trifluoropropan-2-one
CID 80305206
1-(4,5-Dimethyl-1,3-thiazol-2-yl)-4,4,4-trifluorobutan-2-one
CID 80306047
2-[5-(Fluoromethyl)-4-methyl-1,3-thiazol-2-yl]acetic acid
CID 84771005
2-[5-(Fluoromethyl)-4-methyl-1,3-thiazol-2-yl]propanoic acid
CID 84777166
2-[5-(Difluoromethyl)-4-methyl-1,3-thiazol-2-yl]acetic acid
CID 84779350
2-[5-(Fluoromethyl)-4-methyl-1,3-thiazol-2-yl]-2-methylpropanoic acid
CID 84785223
2-[5-(Difluoromethyl)-4-methyl-1,3-thiazol-2-yl]propanoic acid
CID 84787769
2-[5-(Difluoromethyl)-4-methyl-1,3-thiazol-2-yl]-2-methylpropanoic acid
CID 84797300

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]acetate?
The IUPAC name of tert-butyl 2-[5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]acetate (CID 53419966) is tert-butyl 2-[5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]acetate.
What is the SMILES notation for tert-butyl 2-[5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]acetate?
The canonical SMILES for tert-butyl 2-[5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]acetate is Cc1sc(CC(=O)OC(C)(C)C)nc1C(F)(F)F.
What is the InChIKey of tert-butyl 2-[5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]acetate?
The InChIKey is KDMUMRLHDCATSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO2S/c1-6-9(11(12,13)14)15-7(18-6)5-8(16)17-10(2,3)4/h5H2,1-4H3.
What are the key properties of tert-butyl 2-[5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]acetate?
tert-butyl 2-[5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]acetate has a molecular weight of 281.30 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]acetate is sourced from PubChem (CID 53419966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).