7-ethyl-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C11H10F3N3O2S — CID 126469681

IUPAC7-ethyl-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCc1nc2sccn2c(=O)c1C(=O)NCC(F)(F)F
InChIInChI=1S/C11H10F3N3O2S/c1-2-6-7(8(18)15-5-11(12,13)14)9(19)17-3-4-20-10(17)16-6/h3-4H,2,5H2,1H3,(H,15,18)
InChIKeyMLXLFTZXPLVIPI-UHFFFAOYSA-N
MW305.28 g/mol
LogP1.61
Rot. Bonds3

About 7-ethyl-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

7-ethyl-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 126469681) has the molecular formula C11H10F3N3O2S and a molecular weight of 305.28 g/mol. Its IUPAC name is 7-ethyl-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-ethyl-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID126469681
Molecular FormulaC11H10F3N3O2S
Molecular Weight305.28 g/mol
Exact Mass305.04
IUPAC Name7-ethyl-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCc1nc2sccn2c(=O)c1C(=O)NCC(F)(F)F
InChIInChI=1S/C11H10F3N3O2S/c1-2-6-7(8(18)15-5-11(12,13)14)9(19)17-3-4-20-10(17)16-6/h3-4H,2,5H2,1H3,(H,15,18)
InChIKeyMLXLFTZXPLVIPI-UHFFFAOYSA-N
XLogP1.61
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.28
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-ethyl-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 126469681) is 7-ethyl-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-ethyl-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-ethyl-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CCc1nc2sccn2c(=O)c1C(=O)NCC(F)(F)F.
What is the InChIKey of 7-ethyl-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is MLXLFTZXPLVIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O2S/c1-2-6-7(8(18)15-5-11(12,13)14)9(19)17-3-4-20-10(17)16-6/h3-4H,2,5H2,1H3,(H,15,18).
What are the key properties of 7-ethyl-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
7-ethyl-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 305.28 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 126469681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).