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

C7H6F3NO2S — CID 61336133

IUPACmethyl 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetate
SMILESCOC(=O)Cc1nc(C(F)(F)F)cs1
InChIInChI=1S/C7H6F3NO2S/c1-13-6(12)2-5-11-4(3-14-5)7(8,9)10/h3H,2H2,1H3
InChIKeyCLLPFEOHGXRLPS-UHFFFAOYSA-N
MW225.19 g/mol
LogP1.88
Rot. Bonds2

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

methyl 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetate (PubChem CID 61336133) has the molecular formula C7H6F3NO2S and a molecular weight of 225.19 g/mol. Its IUPAC name is methyl 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetate
PubChem CID61336133
Molecular FormulaC7H6F3NO2S
Molecular Weight225.19 g/mol
Exact Mass225.01
IUPAC Namemethyl 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetate
SMILESCOC(=O)Cc1nc(C(F)(F)F)cs1
InChIInChI=1S/C7H6F3NO2S/c1-13-6(12)2-5-11-4(3-14-5)7(8,9)10/h3H,2H2,1H3
InChIKeyCLLPFEOHGXRLPS-UHFFFAOYSA-N
XLogP1.88
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.19
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetate?
The IUPAC name of methyl 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetate (CID 61336133) is methyl 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetate.
What is the SMILES notation for methyl 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetate?
The canonical SMILES for methyl 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetate is COC(=O)Cc1nc(C(F)(F)F)cs1.
What is the InChIKey of methyl 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetate?
The InChIKey is CLLPFEOHGXRLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO2S/c1-13-6(12)2-5-11-4(3-14-5)7(8,9)10/h3H,2H2,1H3.
What are the key properties of methyl 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetate?
methyl 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetate has a molecular weight of 225.19 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetate is sourced from PubChem (CID 61336133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).