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

C13H11F3N2O3S — CID 57379731

IUPAC(2-amino-1,3-thiazol-4-yl)methyl 2-[2-(trifluoromethoxy)phenyl]acetate
SMILESNc1nc(COC(=O)Cc2ccccc2OC(F)(F)F)cs1
InChIInChI=1S/C13H11F3N2O3S/c14-13(15,16)21-10-4-2-1-3-8(10)5-11(19)20-6-9-7-22-12(17)18-9/h1-4,7H,5-6H2,(H2,17,18)
InChIKeyUDSGZUIPQUMKGY-UHFFFAOYSA-N
MW332.30 g/mol
LogP2.91
Rot. Bonds5

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

(2-amino-1,3-thiazol-4-yl)methyl 2-[2-(trifluoromethoxy)phenyl]acetate (PubChem CID 57379731) has the molecular formula C13H11F3N2O3S and a molecular weight of 332.30 g/mol. Its IUPAC name is (2-amino-1,3-thiazol-4-yl)methyl 2-[2-(trifluoromethoxy)phenyl]acetate.

Molecular Properties

Compound Name(2-amino-1,3-thiazol-4-yl)methyl 2-[2-(trifluoromethoxy)phenyl]acetate
PubChem CID57379731
Molecular FormulaC13H11F3N2O3S
Molecular Weight332.30 g/mol
Exact Mass332.04
IUPAC Name(2-amino-1,3-thiazol-4-yl)methyl 2-[2-(trifluoromethoxy)phenyl]acetate
SMILESNc1nc(COC(=O)Cc2ccccc2OC(F)(F)F)cs1
InChIInChI=1S/C13H11F3N2O3S/c14-13(15,16)21-10-4-2-1-3-8(10)5-11(19)20-6-9-7-22-12(17)18-9/h1-4,7H,5-6H2,(H2,17,18)
InChIKeyUDSGZUIPQUMKGY-UHFFFAOYSA-N
XLogP2.91
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.30
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-amino-1,3-thiazol-4-yl)methyl 2-[2-(trifluoromethoxy)phenyl]acetate?
The IUPAC name of (2-amino-1,3-thiazol-4-yl)methyl 2-[2-(trifluoromethoxy)phenyl]acetate (CID 57379731) is (2-amino-1,3-thiazol-4-yl)methyl 2-[2-(trifluoromethoxy)phenyl]acetate.
What is the SMILES notation for (2-amino-1,3-thiazol-4-yl)methyl 2-[2-(trifluoromethoxy)phenyl]acetate?
The canonical SMILES for (2-amino-1,3-thiazol-4-yl)methyl 2-[2-(trifluoromethoxy)phenyl]acetate is Nc1nc(COC(=O)Cc2ccccc2OC(F)(F)F)cs1.
What is the InChIKey of (2-amino-1,3-thiazol-4-yl)methyl 2-[2-(trifluoromethoxy)phenyl]acetate?
The InChIKey is UDSGZUIPQUMKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O3S/c14-13(15,16)21-10-4-2-1-3-8(10)5-11(19)20-6-9-7-22-12(17)18-9/h1-4,7H,5-6H2,(H2,17,18).
What are the key properties of (2-amino-1,3-thiazol-4-yl)methyl 2-[2-(trifluoromethoxy)phenyl]acetate?
(2-amino-1,3-thiazol-4-yl)methyl 2-[2-(trifluoromethoxy)phenyl]acetate has a molecular weight of 332.30 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-1,3-thiazol-4-yl)methyl 2-[2-(trifluoromethoxy)phenyl]acetate is sourced from PubChem (CID 57379731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).