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

C17H13F6N5O2S — CID 118009639

IUPAC7-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-N-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)cc3C3CC3)cc(=O)n12
InChIInChI=1S/C17H13F6N5O2S/c1-24-14(30)12-13(17(21,22)23)31-15-25-8(4-11(29)28(12)15)6-27-9(7-2-3-7)5-10(26-27)16(18,19)20/h4-5,7H,2-3,6H2,1H3,(H,24,30)
InChIKeyFJRIMWGKPVXGEJ-UHFFFAOYSA-N
MW465.38 g/mol
LogP3.28
Rot. Bonds4

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

7-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-N-methyl-5-oxo-2-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide (PubChem CID 118009639) has the molecular formula C17H13F6N5O2S and a molecular weight of 465.38 g/mol. Its IUPAC name is 7-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-N-methyl-5-oxo-2-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-N-methyl-5-oxo-2-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
PubChem CID118009639
Molecular FormulaC17H13F6N5O2S
Molecular Weight465.38 g/mol
Exact Mass465.07
IUPAC Name7-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-N-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)cc3C3CC3)cc(=O)n12
InChIInChI=1S/C17H13F6N5O2S/c1-24-14(30)12-13(17(21,22)23)31-15-25-8(4-11(29)28(12)15)6-27-9(7-2-3-7)5-10(26-27)16(18,19)20/h4-5,7H,2-3,6H2,1H3,(H,24,30)
InChIKeyFJRIMWGKPVXGEJ-UHFFFAOYSA-N
XLogP3.28
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.38
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-N-methyl-5-oxo-2-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-N-methyl-5-oxo-2-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide (CID 118009639) is 7-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-N-methyl-5-oxo-2-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-N-methyl-5-oxo-2-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-N-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)cc3C3CC3)cc(=O)n12.
What is the InChIKey of 7-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-N-methyl-5-oxo-2-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
The InChIKey is FJRIMWGKPVXGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F6N5O2S/c1-24-14(30)12-13(17(21,22)23)31-15-25-8(4-11(29)28(12)15)6-27-9(7-2-3-7)5-10(26-27)16(18,19)20/h4-5,7H,2-3,6H2,1H3,(H,24,30).
What are the key properties of 7-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-N-methyl-5-oxo-2-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
7-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-N-methyl-5-oxo-2-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide has a molecular weight of 465.38 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-N-methyl-5-oxo-2-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 118009639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).