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

C9H11F3N2O2S — CID 80574624

IUPACmethyl 2-[2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(N(C)CC(F)(F)F)n1
InChIInChI=1S/C9H11F3N2O2S/c1-14(5-9(10,11)12)8-13-6(4-17-8)3-7(15)16-2/h4H,3,5H2,1-2H3
InChIKeyKVNMUAFAESSOBE-UHFFFAOYSA-N
MW268.26 g/mol
LogP1.86
Rot. Bonds4

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

methyl 2-[2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetate (PubChem CID 80574624) has the molecular formula C9H11F3N2O2S and a molecular weight of 268.26 g/mol. Its IUPAC name is methyl 2-[2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetate
PubChem CID80574624
Molecular FormulaC9H11F3N2O2S
Molecular Weight268.26 g/mol
Exact Mass268.05
IUPAC Namemethyl 2-[2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(N(C)CC(F)(F)F)n1
InChIInChI=1S/C9H11F3N2O2S/c1-14(5-9(10,11)12)8-13-6(4-17-8)3-7(15)16-2/h4H,3,5H2,1-2H3
InChIKeyKVNMUAFAESSOBE-UHFFFAOYSA-N
XLogP1.86
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of methyl 2-[2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetate (CID 80574624) is methyl 2-[2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for methyl 2-[2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetate is COC(=O)Cc1csc(N(C)CC(F)(F)F)n1.
What is the InChIKey of methyl 2-[2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is KVNMUAFAESSOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O2S/c1-14(5-9(10,11)12)8-13-6(4-17-8)3-7(15)16-2/h4H,3,5H2,1-2H3.
What are the key properties of methyl 2-[2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetate?
methyl 2-[2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 268.26 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 80574624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).