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

C18H15F6N5O2S — CID 118011166

IUPAC7-[[3-cyclopropyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]-2-methyl-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
SMILESCc1sc2nc(Cn3nc(C4CC4)cc3C(F)(F)F)cc(=O)n2c1C(=O)NCC(F)(F)F
InChIInChI=1S/C18H15F6N5O2S/c1-8-14(15(31)25-7-17(19,20)21)29-13(30)4-10(26-16(29)32-8)6-28-12(18(22,23)24)5-11(27-28)9-2-3-9/h4-5,9H,2-3,6-7H2,1H3,(H,25,31)
InChIKeyXYAUNQNYDFWDKR-UHFFFAOYSA-N
MW479.41 g/mol
LogP3.50
Rot. Bonds5

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

7-[[3-cyclopropyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]-2-methyl-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide (PubChem CID 118011166) has the molecular formula C18H15F6N5O2S and a molecular weight of 479.41 g/mol. Its IUPAC name is 7-[[3-cyclopropyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]-2-methyl-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-[[3-cyclopropyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]-2-methyl-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
PubChem CID118011166
Molecular FormulaC18H15F6N5O2S
Molecular Weight479.41 g/mol
Exact Mass479.09
IUPAC Name7-[[3-cyclopropyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]-2-methyl-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
SMILESCc1sc2nc(Cn3nc(C4CC4)cc3C(F)(F)F)cc(=O)n2c1C(=O)NCC(F)(F)F
InChIInChI=1S/C18H15F6N5O2S/c1-8-14(15(31)25-7-17(19,20)21)29-13(30)4-10(26-16(29)32-8)6-28-12(18(22,23)24)5-11(27-28)9-2-3-9/h4-5,9H,2-3,6-7H2,1H3,(H,25,31)
InChIKeyXYAUNQNYDFWDKR-UHFFFAOYSA-N
XLogP3.50
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.41
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[[3-cyclopropyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]-2-methyl-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-[[3-cyclopropyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]-2-methyl-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide (CID 118011166) is 7-[[3-cyclopropyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]-2-methyl-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-[[3-cyclopropyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]-2-methyl-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-[[3-cyclopropyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]-2-methyl-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide is Cc1sc2nc(Cn3nc(C4CC4)cc3C(F)(F)F)cc(=O)n2c1C(=O)NCC(F)(F)F.
What is the InChIKey of 7-[[3-cyclopropyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]-2-methyl-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
The InChIKey is XYAUNQNYDFWDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F6N5O2S/c1-8-14(15(31)25-7-17(19,20)21)29-13(30)4-10(26-16(29)32-8)6-28-12(18(22,23)24)5-11(27-28)9-2-3-9/h4-5,9H,2-3,6-7H2,1H3,(H,25,31).
What are the key properties of 7-[[3-cyclopropyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]-2-methyl-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
7-[[3-cyclopropyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]-2-methyl-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide has a molecular weight of 479.41 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[3-cyclopropyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]-2-methyl-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 118011166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).