7-[2-fluoro-3-(trifluoromethyl)phenoxy]-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide

C16H11F4N3O3S — CID 118018054

IUPAC7-[2-fluoro-3-(trifluoromethyl)phenoxy]-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
SMILESCNC(=O)c1c(C)sc2nc(Oc3cccc(C(F)(F)F)c3F)cc(=O)n12
InChIInChI=1S/C16H11F4N3O3S/c1-7-13(14(25)21-2)23-11(24)6-10(22-15(23)27-7)26-9-5-3-4-8(12(9)17)16(18,19)20/h3-6H,1-2H3,(H,21,25)
InChIKeyGYYAZGDORWTLRE-UHFFFAOYSA-N
MW401.34 g/mol
LogP3.37
Rot. Bonds3

About 7-[2-fluoro-3-(trifluoromethyl)phenoxy]-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide

7-[2-fluoro-3-(trifluoromethyl)phenoxy]-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide (PubChem CID 118018054) has the molecular formula C16H11F4N3O3S and a molecular weight of 401.34 g/mol. Its IUPAC name is 7-[2-fluoro-3-(trifluoromethyl)phenoxy]-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-[2-fluoro-3-(trifluoromethyl)phenoxy]-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
PubChem CID118018054
Molecular FormulaC16H11F4N3O3S
Molecular Weight401.34 g/mol
Exact Mass401.05
IUPAC Name7-[2-fluoro-3-(trifluoromethyl)phenoxy]-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
SMILESCNC(=O)c1c(C)sc2nc(Oc3cccc(C(F)(F)F)c3F)cc(=O)n12
InChIInChI=1S/C16H11F4N3O3S/c1-7-13(14(25)21-2)23-11(24)6-10(22-15(23)27-7)26-9-5-3-4-8(12(9)17)16(18,19)20/h3-6H,1-2H3,(H,21,25)
InChIKeyGYYAZGDORWTLRE-UHFFFAOYSA-N
XLogP3.37
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.34
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[2-fluoro-3-(trifluoromethyl)phenoxy]-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-[2-fluoro-3-(trifluoromethyl)phenoxy]-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide (CID 118018054) is 7-[2-fluoro-3-(trifluoromethyl)phenoxy]-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-[2-fluoro-3-(trifluoromethyl)phenoxy]-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-[2-fluoro-3-(trifluoromethyl)phenoxy]-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide is CNC(=O)c1c(C)sc2nc(Oc3cccc(C(F)(F)F)c3F)cc(=O)n12.
What is the InChIKey of 7-[2-fluoro-3-(trifluoromethyl)phenoxy]-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
The InChIKey is GYYAZGDORWTLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F4N3O3S/c1-7-13(14(25)21-2)23-11(24)6-10(22-15(23)27-7)26-9-5-3-4-8(12(9)17)16(18,19)20/h3-6H,1-2H3,(H,21,25).
What are the key properties of 7-[2-fluoro-3-(trifluoromethyl)phenoxy]-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
7-[2-fluoro-3-(trifluoromethyl)phenoxy]-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide has a molecular weight of 401.34 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-fluoro-3-(trifluoromethyl)phenoxy]-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 118018054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).