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

C21H19ClF3N3O3S — CID 42827676

IUPACethyl 5-(2-chlorophenyl)-3-[2-(cyclopropylamino)-2-oxoethyl]-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)NC3CC3)N2C1c1ccccc1Cl
InChIInChI=1S/C21H19ClF3N3O3S/c1-2-31-19(30)16-17(13-5-3-4-6-14(13)22)28-12(9-15(29)26-11-7-8-11)10-32-20(28)27-18(16)21(23,24)25/h3-6,10-11,17H,2,7-9H2,1H3,(H,26,29)
InChIKeyIRLHDLLWCIRLHD-UHFFFAOYSA-N
MW485.92 g/mol
LogP4.69
Rot. Bonds6

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

ethyl 5-(2-chlorophenyl)-3-[2-(cyclopropylamino)-2-oxoethyl]-7-(trifluoromethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (PubChem CID 42827676) has the molecular formula C21H19ClF3N3O3S and a molecular weight of 485.92 g/mol. Its IUPAC name is ethyl 5-(2-chlorophenyl)-3-[2-(cyclopropylamino)-2-oxoethyl]-7-(trifluoromethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2-chlorophenyl)-3-[2-(cyclopropylamino)-2-oxoethyl]-7-(trifluoromethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
PubChem CID42827676
Molecular FormulaC21H19ClF3N3O3S
Molecular Weight485.92 g/mol
Exact Mass485.08
IUPAC Nameethyl 5-(2-chlorophenyl)-3-[2-(cyclopropylamino)-2-oxoethyl]-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)NC3CC3)N2C1c1ccccc1Cl
InChIInChI=1S/C21H19ClF3N3O3S/c1-2-31-19(30)16-17(13-5-3-4-6-14(13)22)28-12(9-15(29)26-11-7-8-11)10-32-20(28)27-18(16)21(23,24)25/h3-6,10-11,17H,2,7-9H2,1H3,(H,26,29)
InChIKeyIRLHDLLWCIRLHD-UHFFFAOYSA-N
XLogP4.69
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.92
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 5-(2-chlorophenyl)-3-[2-(cyclopropylamino)-2-oxoethyl]-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 (5R)-3-[2-(cyclopropylamino)-2-oxoethyl]-5-(2-fluorophenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98356775
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
ethyl 5-(2-chlorophenyl)-3-[2-(4-fluoroanilino)-2-oxoethyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 42827795
ethyl (5R)-3-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]-5-(2-chlorophenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98356468
2-methoxyethyl (5S)-3-[2-(cyclopropylamino)-2-oxoethyl]-7-methyl-5-(2-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98155055
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
2-methoxyethyl (5S)-5-(2-chlorophenyl)-3-[2-(ethylamino)-2-oxoethyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98357043
ethyl (5R)-5-(2-chlorophenyl)-7-methyl-3-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98357392
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
ethyl 5-(2-chlorophenyl)-3-[2-(diethylamino)-2-oxoethyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 42827798
ethyl (5R)-3-[2-(cyclopropylamino)-2-oxoethyl]-5-(4-methoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98356756
methyl (5R)-3-[2-(cyclopropylamino)-2-oxoethyl]-7-ethyl-5-(2-fluorophenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98203717

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2-chlorophenyl)-3-[2-(cyclopropylamino)-2-oxoethyl]-7-(trifluoromethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 5-(2-chlorophenyl)-3-[2-(cyclopropylamino)-2-oxoethyl]-7-(trifluoromethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CID 42827676) is ethyl 5-(2-chlorophenyl)-3-[2-(cyclopropylamino)-2-oxoethyl]-7-(trifluoromethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 5-(2-chlorophenyl)-3-[2-(cyclopropylamino)-2-oxoethyl]-7-(trifluoromethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 5-(2-chlorophenyl)-3-[2-(cyclopropylamino)-2-oxoethyl]-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)NC3CC3)N2C1c1ccccc1Cl.
What is the InChIKey of ethyl 5-(2-chlorophenyl)-3-[2-(cyclopropylamino)-2-oxoethyl]-7-(trifluoromethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The InChIKey is IRLHDLLWCIRLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClF3N3O3S/c1-2-31-19(30)16-17(13-5-3-4-6-14(13)22)28-12(9-15(29)26-11-7-8-11)10-32-20(28)27-18(16)21(23,24)25/h3-6,10-11,17H,2,7-9H2,1H3,(H,26,29).
What are the key properties of ethyl 5-(2-chlorophenyl)-3-[2-(cyclopropylamino)-2-oxoethyl]-7-(trifluoromethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
ethyl 5-(2-chlorophenyl)-3-[2-(cyclopropylamino)-2-oxoethyl]-7-(trifluoromethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate has a molecular weight of 485.92 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2-chlorophenyl)-3-[2-(cyclopropylamino)-2-oxoethyl]-7-(trifluoromethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 42827676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).