ethyl (2Z)-2-(2-methoxy-2-oxoethylidene)-5-(4-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

C20H20N2O6S — CID 5310874

IUPACethyl (2Z)-2-(2-methoxy-2-oxoethylidene)-5-(4-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)C1=C(C)N=c2s/c(=C\C(=O)OC)c(=O)n2C1c1ccc(OC)cc1
InChIInChI=1S/C20H20N2O6S/c1-5-28-19(25)16-11(2)21-20-22(18(24)14(29-20)10-15(23)27-4)17(16)12-6-8-13(26-3)9-7-12/h6-10,17H,5H2,1-4H3/b14-10-
InChIKeyRQIAIJPJAMXWNM-UVTDQMKNSA-N
MW416.46 g/mol
LogP0.93
Rot. Bonds5

About ethyl (2Z)-2-(2-methoxy-2-oxoethylidene)-5-(4-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

ethyl (2Z)-2-(2-methoxy-2-oxoethylidene)-5-(4-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (PubChem CID 5310874) has the molecular formula C20H20N2O6S and a molecular weight of 416.46 g/mol. Its IUPAC name is ethyl (2Z)-2-(2-methoxy-2-oxoethylidene)-5-(4-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl (2Z)-2-(2-methoxy-2-oxoethylidene)-5-(4-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
PubChem CID5310874
Molecular FormulaC20H20N2O6S
Molecular Weight416.46 g/mol
Exact Mass416.10
IUPAC Nameethyl (2Z)-2-(2-methoxy-2-oxoethylidene)-5-(4-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)C1=C(C)N=c2s/c(=C\C(=O)OC)c(=O)n2C1c1ccc(OC)cc1
InChIInChI=1S/C20H20N2O6S/c1-5-28-19(25)16-11(2)21-20-22(18(24)14(29-20)10-15(23)27-4)17(16)12-6-8-13(26-3)9-7-12/h6-10,17H,5H2,1-4H3/b14-10-
InChIKeyRQIAIJPJAMXWNM-UVTDQMKNSA-N
XLogP0.93
TPSA96.19 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze ethyl (2Z)-2-(2-methoxy-2-oxoethylidene)-5-(4-methoxyphenyl)-7-methyl-3-oxo-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

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-(2-methoxy-2-oxoethylidene)-5-(4-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The IUPAC name of ethyl (2Z)-2-(2-methoxy-2-oxoethylidene)-5-(4-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CID 5310874) is ethyl (2Z)-2-(2-methoxy-2-oxoethylidene)-5-(4-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl (2Z)-2-(2-methoxy-2-oxoethylidene)-5-(4-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl (2Z)-2-(2-methoxy-2-oxoethylidene)-5-(4-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is CCOC(=O)C1=C(C)N=c2s/c(=C\C(=O)OC)c(=O)n2C1c1ccc(OC)cc1.
What is the InChIKey of ethyl (2Z)-2-(2-methoxy-2-oxoethylidene)-5-(4-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The InChIKey is RQIAIJPJAMXWNM-UVTDQMKNSA-N. The full InChI is InChI=1S/C20H20N2O6S/c1-5-28-19(25)16-11(2)21-20-22(18(24)14(29-20)10-15(23)27-4)17(16)12-6-8-13(26-3)9-7-12/h6-10,17H,5H2,1-4H3/b14-10-.
What are the key properties of ethyl (2Z)-2-(2-methoxy-2-oxoethylidene)-5-(4-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
ethyl (2Z)-2-(2-methoxy-2-oxoethylidene)-5-(4-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate has a molecular weight of 416.46 g/mol, XLogP of 0.93, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-(2-methoxy-2-oxoethylidene)-5-(4-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 5310874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).