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

C16H13F6N5O2S — CID 118010633

IUPAC2-methyl-7-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
SMILESCc1sc2nc(Cn3nc(C(F)(F)F)cc3C)cc(=O)n2c1C(=O)NCC(F)(F)F
InChIInChI=1S/C16H13F6N5O2S/c1-7-3-10(16(20,21)22)25-26(7)5-9-4-11(28)27-12(8(2)30-14(27)24-9)13(29)23-6-15(17,18)19/h3-4H,5-6H2,1-2H3,(H,23,29)
InChIKeyLHAQUHHUFHNTMO-UHFFFAOYSA-N
MW453.37 g/mol
LogP2.93
Rot. Bonds4

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

2-methyl-7-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide (PubChem CID 118010633) has the molecular formula C16H13F6N5O2S and a molecular weight of 453.37 g/mol. Its IUPAC name is 2-methyl-7-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-7-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
PubChem CID118010633
Molecular FormulaC16H13F6N5O2S
Molecular Weight453.37 g/mol
Exact Mass453.07
IUPAC Name2-methyl-7-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
SMILESCc1sc2nc(Cn3nc(C(F)(F)F)cc3C)cc(=O)n2c1C(=O)NCC(F)(F)F
InChIInChI=1S/C16H13F6N5O2S/c1-7-3-10(16(20,21)22)25-26(7)5-9-4-11(28)27-12(8(2)30-14(27)24-9)13(29)23-6-15(17,18)19/h3-4H,5-6H2,1-2H3,(H,23,29)
InChIKeyLHAQUHHUFHNTMO-UHFFFAOYSA-N
XLogP2.93
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.37
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-methyl-7-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide (CID 118010633) is 2-methyl-7-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-methyl-7-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-methyl-7-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide is Cc1sc2nc(Cn3nc(C(F)(F)F)cc3C)cc(=O)n2c1C(=O)NCC(F)(F)F.
What is the InChIKey of 2-methyl-7-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
The InChIKey is LHAQUHHUFHNTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F6N5O2S/c1-7-3-10(16(20,21)22)25-26(7)5-9-4-11(28)27-12(8(2)30-14(27)24-9)13(29)23-6-15(17,18)19/h3-4H,5-6H2,1-2H3,(H,23,29).
What are the key properties of 2-methyl-7-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
2-methyl-7-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide has a molecular weight of 453.37 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 118010633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).