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

C11H15F3N2O2S — CID 80574849

IUPACmethyl 2-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(N(CC(F)(F)F)C(C)C)n1
InChIInChI=1S/C11H15F3N2O2S/c1-7(2)16(6-11(12,13)14)10-15-8(5-19-10)4-9(17)18-3/h5,7H,4,6H2,1-3H3
InChIKeyDROAFBXFVYNJQL-UHFFFAOYSA-N
MW296.31 g/mol
LogP2.64
Rot. Bonds5

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

methyl 2-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetate (PubChem CID 80574849) has the molecular formula C11H15F3N2O2S and a molecular weight of 296.31 g/mol. Its IUPAC name is methyl 2-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetate
PubChem CID80574849
Molecular FormulaC11H15F3N2O2S
Molecular Weight296.31 g/mol
Exact Mass296.08
IUPAC Namemethyl 2-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(N(CC(F)(F)F)C(C)C)n1
InChIInChI=1S/C11H15F3N2O2S/c1-7(2)16(6-11(12,13)14)10-15-8(5-19-10)4-9(17)18-3/h5,7H,4,6H2,1-3H3
InChIKeyDROAFBXFVYNJQL-UHFFFAOYSA-N
XLogP2.64
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of methyl 2-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetate (CID 80574849) is methyl 2-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for methyl 2-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetate is COC(=O)Cc1csc(N(CC(F)(F)F)C(C)C)n1.
What is the InChIKey of methyl 2-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is DROAFBXFVYNJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O2S/c1-7(2)16(6-11(12,13)14)10-15-8(5-19-10)4-9(17)18-3/h5,7H,4,6H2,1-3H3.
What are the key properties of methyl 2-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetate?
methyl 2-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 296.31 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 80574849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).