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

C20H24N2O4S — CID 3744624

IUPACmethyl 2-ethyl-7-methyl-3-oxo-5-(4-propoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SMILESCCCOc1ccc(C2C(C(=O)OC)=C(C)N=C3SC(CC)C(=O)N32)cc1
InChIInChI=1S/C20H24N2O4S/c1-5-11-26-14-9-7-13(8-10-14)17-16(19(24)25-4)12(3)21-20-22(17)18(23)15(6-2)27-20/h7-10,15,17H,5-6,11H2,1-4H3
InChIKeyGXPADIKUNAAHMW-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.69
Rot. Bonds6

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

methyl 2-ethyl-7-methyl-3-oxo-5-(4-propoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (PubChem CID 3744624) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is methyl 2-ethyl-7-methyl-3-oxo-5-(4-propoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-ethyl-7-methyl-3-oxo-5-(4-propoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
PubChem CID3744624
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Namemethyl 2-ethyl-7-methyl-3-oxo-5-(4-propoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SMILESCCCOc1ccc(C2C(C(=O)OC)=C(C)N=C3SC(CC)C(=O)N32)cc1
InChIInChI=1S/C20H24N2O4S/c1-5-11-26-14-9-7-13(8-10-14)17-16(19(24)25-4)12(3)21-20-22(17)18(23)15(6-2)27-20/h7-10,15,17H,5-6,11H2,1-4H3
InChIKeyGXPADIKUNAAHMW-UHFFFAOYSA-N
XLogP3.69
TPSA68.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-ethyl-7-methyl-3-oxo-5-(4-propoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The IUPAC name of methyl 2-ethyl-7-methyl-3-oxo-5-(4-propoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CID 3744624) is methyl 2-ethyl-7-methyl-3-oxo-5-(4-propoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
What is the SMILES notation for methyl 2-ethyl-7-methyl-3-oxo-5-(4-propoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The canonical SMILES for methyl 2-ethyl-7-methyl-3-oxo-5-(4-propoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is CCCOc1ccc(C2C(C(=O)OC)=C(C)N=C3SC(CC)C(=O)N32)cc1.
What is the InChIKey of methyl 2-ethyl-7-methyl-3-oxo-5-(4-propoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The InChIKey is GXPADIKUNAAHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-5-11-26-14-9-7-13(8-10-14)17-16(19(24)25-4)12(3)21-20-22(17)18(23)15(6-2)27-20/h7-10,15,17H,5-6,11H2,1-4H3.
What are the key properties of methyl 2-ethyl-7-methyl-3-oxo-5-(4-propoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
methyl 2-ethyl-7-methyl-3-oxo-5-(4-propoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate has a molecular weight of 388.49 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethyl-7-methyl-3-oxo-5-(4-propoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 3744624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).