ethyl 3-[2-[ethyl(methyl)amino]-2-oxoethyl]-5-(2-methylphenyl)-7-(trifluoromethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

C22H24F3N3O3S — CID 42830617

IUPACethyl 3-[2-[ethyl(methyl)amino]-2-oxoethyl]-5-(2-methylphenyl)-7-(trifluoromethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)C1=C(C(F)(F)F)N=C2SC=C(CC(=O)N(C)CC)N2C1c1ccccc1C
InChIInChI=1S/C22H24F3N3O3S/c1-5-27(4)16(29)11-14-12-32-21-26-19(22(23,24)25)17(20(30)31-6-2)18(28(14)21)15-10-8-7-9-13(15)3/h7-10,12,18H,5-6,11H2,1-4H3
InChIKeyQXOFCDVCWFWJDC-UHFFFAOYSA-N
MW467.51 g/mol
LogP4.54
Rot. Bonds6

About ethyl 3-[2-[ethyl(methyl)amino]-2-oxoethyl]-5-(2-methylphenyl)-7-(trifluoromethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

ethyl 3-[2-[ethyl(methyl)amino]-2-oxoethyl]-5-(2-methylphenyl)-7-(trifluoromethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (PubChem CID 42830617) has the molecular formula C22H24F3N3O3S and a molecular weight of 467.51 g/mol. Its IUPAC name is ethyl 3-[2-[ethyl(methyl)amino]-2-oxoethyl]-5-(2-methylphenyl)-7-(trifluoromethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 3-[2-[ethyl(methyl)amino]-2-oxoethyl]-5-(2-methylphenyl)-7-(trifluoromethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
PubChem CID42830617
Molecular FormulaC22H24F3N3O3S
Molecular Weight467.51 g/mol
Exact Mass467.15
IUPAC Nameethyl 3-[2-[ethyl(methyl)amino]-2-oxoethyl]-5-(2-methylphenyl)-7-(trifluoromethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)C1=C(C(F)(F)F)N=C2SC=C(CC(=O)N(C)CC)N2C1c1ccccc1C
InChIInChI=1S/C22H24F3N3O3S/c1-5-27(4)16(29)11-14-12-32-21-26-19(22(23,24)25)17(20(30)31-6-2)18(28(14)21)15-10-8-7-9-13(15)3/h7-10,12,18H,5-6,11H2,1-4H3
InChIKeyQXOFCDVCWFWJDC-UHFFFAOYSA-N
XLogP4.54
TPSA62.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.51
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 3-[2-[ethyl(methyl)amino]-2-oxoethyl]-5-(2-methylphenyl)-7-(trifluoromethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (5S)-5-(2-methylphenyl)-3-(2-morpholin-4-yl-2-oxoethyl)-7-(trifluoromethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98234501
ethyl 5-(2-chlorophenyl)-3-[2-(cyclopropylamino)-2-oxoethyl]-7-(trifluoromethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 42827676
ethyl 3-[2-[ethyl(methyl)amino]-2-oxoethyl]-7-methyl-5-(4-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 42829293
ethyl 3-[2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl]-5-(2-methoxyphenyl)-7-(trifluoromethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 42831605
benzyl (5R)-3-[2-[benzyl(methyl)amino]-2-oxoethyl]-7-methyl-5-(2-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98294000
ethyl 5-(2-chlorophenyl)-3-[2-(diethylamino)-2-oxoethyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 42827798
ethyl 3-[2-[ethyl(methyl)amino]-2-oxoethyl]-7-phenyl-5-(4-propan-2-ylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 42831552
ethyl (5S)-3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-5-(4-methylphenyl)-7-(trifluoromethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98308851
ethyl 5-(3,4-dimethoxyphenyl)-3-[2-[ethyl(methyl)amino]-2-oxoethyl]-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 42831505
tert-butyl (5S)-5-(4-chlorophenyl)-3-[2-[ethyl(methyl)amino]-2-oxoethyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98294004
5-(2,5-dimethylphenyl)-3-[2-[ethyl(methyl)amino]-2-oxoethyl]-7-methyl-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 42832945
2-[6-ethoxycarbonyl-7-methyl-5-[4-(trifluoromethyl)phenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetic acid
CID 42826911

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-[ethyl(methyl)amino]-2-oxoethyl]-5-(2-methylphenyl)-7-(trifluoromethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 3-[2-[ethyl(methyl)amino]-2-oxoethyl]-5-(2-methylphenyl)-7-(trifluoromethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CID 42830617) is ethyl 3-[2-[ethyl(methyl)amino]-2-oxoethyl]-5-(2-methylphenyl)-7-(trifluoromethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 3-[2-[ethyl(methyl)amino]-2-oxoethyl]-5-(2-methylphenyl)-7-(trifluoromethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 3-[2-[ethyl(methyl)amino]-2-oxoethyl]-5-(2-methylphenyl)-7-(trifluoromethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is CCOC(=O)C1=C(C(F)(F)F)N=C2SC=C(CC(=O)N(C)CC)N2C1c1ccccc1C.
What is the InChIKey of ethyl 3-[2-[ethyl(methyl)amino]-2-oxoethyl]-5-(2-methylphenyl)-7-(trifluoromethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The InChIKey is QXOFCDVCWFWJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N3O3S/c1-5-27(4)16(29)11-14-12-32-21-26-19(22(23,24)25)17(20(30)31-6-2)18(28(14)21)15-10-8-7-9-13(15)3/h7-10,12,18H,5-6,11H2,1-4H3.
What are the key properties of ethyl 3-[2-[ethyl(methyl)amino]-2-oxoethyl]-5-(2-methylphenyl)-7-(trifluoromethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
ethyl 3-[2-[ethyl(methyl)amino]-2-oxoethyl]-5-(2-methylphenyl)-7-(trifluoromethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate has a molecular weight of 467.51 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-[ethyl(methyl)amino]-2-oxoethyl]-5-(2-methylphenyl)-7-(trifluoromethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 42830617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).