N-methyl-7-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-oxo-2-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide

C15H11F6N5O2S — CID 122438482

IUPACN-methyl-7-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-oxo-2-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
SMILESCNC(=O)c1c(C(F)(F)F)sc2nc(Cn3nc(C(F)(F)F)cc3C)cc(=O)n12
InChIInChI=1S/C15H11F6N5O2S/c1-6-3-8(14(16,17)18)24-25(6)5-7-4-9(27)26-10(12(28)22-2)11(15(19,20)21)29-13(26)23-7/h3-4H,5H2,1-2H3,(H,22,28)
InChIKeyCJCSKGSWCZQCKD-UHFFFAOYSA-N
MW439.34 g/mol
LogP2.71
Rot. Bonds3

About N-methyl-7-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-oxo-2-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide

N-methyl-7-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-oxo-2-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide (PubChem CID 122438482) has the molecular formula C15H11F6N5O2S and a molecular weight of 439.34 g/mol. Its IUPAC name is N-methyl-7-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-oxo-2-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-7-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-oxo-2-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
PubChem CID122438482
Molecular FormulaC15H11F6N5O2S
Molecular Weight439.34 g/mol
Exact Mass439.05
IUPAC NameN-methyl-7-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-oxo-2-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
SMILESCNC(=O)c1c(C(F)(F)F)sc2nc(Cn3nc(C(F)(F)F)cc3C)cc(=O)n12
InChIInChI=1S/C15H11F6N5O2S/c1-6-3-8(14(16,17)18)24-25(6)5-7-4-9(27)26-10(12(28)22-2)11(15(19,20)21)29-13(26)23-7/h3-4H,5H2,1-2H3,(H,22,28)
InChIKeyCJCSKGSWCZQCKD-UHFFFAOYSA-N
XLogP2.71
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.34
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-7-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-oxo-2-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-methyl-7-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-oxo-2-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide (CID 122438482) is N-methyl-7-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-oxo-2-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-methyl-7-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-oxo-2-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-methyl-7-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-oxo-2-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide is CNC(=O)c1c(C(F)(F)F)sc2nc(Cn3nc(C(F)(F)F)cc3C)cc(=O)n12.
What is the InChIKey of N-methyl-7-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-oxo-2-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
The InChIKey is CJCSKGSWCZQCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F6N5O2S/c1-6-3-8(14(16,17)18)24-25(6)5-7-4-9(27)26-10(12(28)22-2)11(15(19,20)21)29-13(26)23-7/h3-4H,5H2,1-2H3,(H,22,28).
What are the key properties of N-methyl-7-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-oxo-2-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
N-methyl-7-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-oxo-2-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide has a molecular weight of 439.34 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-7-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-oxo-2-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 122438482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).