methyl 5-(3,4-dimethoxyphenyl)-2,7-dimethyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

C18H20N2O5S — CID 3568376

IUPACmethyl 5-(3,4-dimethoxyphenyl)-2,7-dimethyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SMILESCOC(=O)C1=C(C)N=C2SC(C)C(=O)N2C1c1ccc(OC)c(OC)c1
InChIInChI=1S/C18H20N2O5S/c1-9-14(17(22)25-5)15(20-16(21)10(2)26-18(20)19-9)11-6-7-12(23-3)13(8-11)24-4/h6-8,10,15H,1-5H3
InChIKeyMMELZDSVMIBFNE-UHFFFAOYSA-N
MW376.43 g/mol
LogP2.53
Rot. Bonds4

About methyl 5-(3,4-dimethoxyphenyl)-2,7-dimethyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

methyl 5-(3,4-dimethoxyphenyl)-2,7-dimethyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (PubChem CID 3568376) has the molecular formula C18H20N2O5S and a molecular weight of 376.43 g/mol. Its IUPAC name is methyl 5-(3,4-dimethoxyphenyl)-2,7-dimethyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Namemethyl 5-(3,4-dimethoxyphenyl)-2,7-dimethyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
PubChem CID3568376
Molecular FormulaC18H20N2O5S
Molecular Weight376.43 g/mol
Exact Mass376.11
IUPAC Namemethyl 5-(3,4-dimethoxyphenyl)-2,7-dimethyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SMILESCOC(=O)C1=C(C)N=C2SC(C)C(=O)N2C1c1ccc(OC)c(OC)c1
InChIInChI=1S/C18H20N2O5S/c1-9-14(17(22)25-5)15(20-16(21)10(2)26-18(20)19-9)11-6-7-12(23-3)13(8-11)24-4/h6-8,10,15H,1-5H3
InChIKeyMMELZDSVMIBFNE-UHFFFAOYSA-N
XLogP2.53
TPSA77.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 5-(3,4-dimethoxyphenyl)-2,7-dimethyl-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 methyl 5-(3,4-dimethoxyphenyl)-2,7-dimethyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The IUPAC name of methyl 5-(3,4-dimethoxyphenyl)-2,7-dimethyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CID 3568376) is methyl 5-(3,4-dimethoxyphenyl)-2,7-dimethyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
What is the SMILES notation for methyl 5-(3,4-dimethoxyphenyl)-2,7-dimethyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The canonical SMILES for methyl 5-(3,4-dimethoxyphenyl)-2,7-dimethyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is COC(=O)C1=C(C)N=C2SC(C)C(=O)N2C1c1ccc(OC)c(OC)c1.
What is the InChIKey of methyl 5-(3,4-dimethoxyphenyl)-2,7-dimethyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The InChIKey is MMELZDSVMIBFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5S/c1-9-14(17(22)25-5)15(20-16(21)10(2)26-18(20)19-9)11-6-7-12(23-3)13(8-11)24-4/h6-8,10,15H,1-5H3.
What are the key properties of methyl 5-(3,4-dimethoxyphenyl)-2,7-dimethyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
methyl 5-(3,4-dimethoxyphenyl)-2,7-dimethyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate has a molecular weight of 376.43 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(3,4-dimethoxyphenyl)-2,7-dimethyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 3568376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).