methyl 2-[2-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-1,3-thiazol-4-yl]acetate

C14H12F3N3O4S — CID 39042022

IUPACmethyl 2-[2-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(NC(=O)Cn2cccc(C(F)(F)F)c2=O)n1
InChIInChI=1S/C14H12F3N3O4S/c1-24-11(22)5-8-7-25-13(18-8)19-10(21)6-20-4-2-3-9(12(20)23)14(15,16)17/h2-4,7H,5-6H2,1H3,(H,18,19,21)
InChIKeyQJOQXHBDYXRXPL-UHFFFAOYSA-N
MW375.33 g/mol
LogP1.68
Rot. Bonds5

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

methyl 2-[2-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-1,3-thiazol-4-yl]acetate (PubChem CID 39042022) has the molecular formula C14H12F3N3O4S and a molecular weight of 375.33 g/mol. Its IUPAC name is methyl 2-[2-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-1,3-thiazol-4-yl]acetate
PubChem CID39042022
Molecular FormulaC14H12F3N3O4S
Molecular Weight375.33 g/mol
Exact Mass375.05
IUPAC Namemethyl 2-[2-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(NC(=O)Cn2cccc(C(F)(F)F)c2=O)n1
InChIInChI=1S/C14H12F3N3O4S/c1-24-11(22)5-8-7-25-13(18-8)19-10(21)6-20-4-2-3-9(12(20)23)14(15,16)17/h2-4,7H,5-6H2,1H3,(H,18,19,21)
InChIKeyQJOQXHBDYXRXPL-UHFFFAOYSA-N
XLogP1.68
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.33
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of methyl 2-[2-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-1,3-thiazol-4-yl]acetate (CID 39042022) is methyl 2-[2-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for methyl 2-[2-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-1,3-thiazol-4-yl]acetate is COC(=O)Cc1csc(NC(=O)Cn2cccc(C(F)(F)F)c2=O)n1.
What is the InChIKey of methyl 2-[2-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is QJOQXHBDYXRXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O4S/c1-24-11(22)5-8-7-25-13(18-8)19-10(21)6-20-4-2-3-9(12(20)23)14(15,16)17/h2-4,7H,5-6H2,1H3,(H,18,19,21).
What are the key properties of methyl 2-[2-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-1,3-thiazol-4-yl]acetate?
methyl 2-[2-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 375.33 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 39042022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).