2-methoxyethyl (2Z)-5-(4-ethoxyphenyl)-7-methyl-3-oxo-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

About 2-methoxyethyl (2Z)-5-(4-ethoxyphenyl)-7-methyl-3-oxo-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

2-methoxyethyl (2Z)-5-(4-ethoxyphenyl)-7-methyl-3-oxo-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (PubChem CID 6167802) has the molecular formula C24H24N2O5S2 and a molecular weight of 484.60 g/mol. Its IUPAC name is 2-methoxyethyl (2Z)-5-(4-ethoxyphenyl)-7-methyl-3-oxo-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Name	2-methoxyethyl (2Z)-5-(4-ethoxyphenyl)-7-methyl-3-oxo-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
PubChem CID	6167802
Molecular Formula	C24H24N2O5S2
Molecular Weight	484.60 g/mol
Exact Mass	484.11
IUPAC Name	2-methoxyethyl (2Z)-5-(4-ethoxyphenyl)-7-methyl-3-oxo-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SMILES	CCOc1ccc(C2C(C(=O)OCCOC)=C(C)N=c3s/c(=C\c4cccs4)c(=O)n32)cc1
InChI	InChI=1S/C24H24N2O5S2/c1-4-30-17-9-7-16(8-10-17)21-20(23(28)31-12-11-29-3)15(2)25-24-26(21)22(27)19(33-24)14-18-6-5-13-32-18/h5-10,13-14,21H,4,11-12H2,1-3H3/b19-14-
InChIKey	LWQQXLPBNHTZNA-RGEXLXHISA-N
XLogP	2.88
TPSA	79.12 Å²
H-Bond Donors
H-Bond Acceptors	9
Rotatable Bonds	8
Heavy Atoms	33
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.60
LogP ≤ 5	2.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl (2Z)-5-(4-ethoxyphenyl)-7-methyl-3-oxo-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

The IUPAC name of 2-methoxyethyl (2Z)-5-(4-ethoxyphenyl)-7-methyl-3-oxo-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CID 6167802) is 2-methoxyethyl (2Z)-5-(4-ethoxyphenyl)-7-methyl-3-oxo-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

What is the SMILES notation for 2-methoxyethyl (2Z)-5-(4-ethoxyphenyl)-7-methyl-3-oxo-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

The canonical SMILES for 2-methoxyethyl (2Z)-5-(4-ethoxyphenyl)-7-methyl-3-oxo-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is CCOc1ccc(C2C(C(=O)OCCOC)=C(C)N=c3s/c(=C\c4cccs4)c(=O)n32)cc1.

What is the InChIKey of 2-methoxyethyl (2Z)-5-(4-ethoxyphenyl)-7-methyl-3-oxo-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

The InChIKey is LWQQXLPBNHTZNA-RGEXLXHISA-N. The full InChI is InChI=1S/C24H24N2O5S2/c1-4-30-17-9-7-16(8-10-17)21-20(23(28)31-12-11-29-3)15(2)25-24-26(21)22(27)19(33-24)14-18-6-5-13-32-18/h5-10,13-14,21H,4,11-12H2,1-3H3/b19-14-.

What are the key properties of 2-methoxyethyl (2Z)-5-(4-ethoxyphenyl)-7-methyl-3-oxo-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

2-methoxyethyl (2Z)-5-(4-ethoxyphenyl)-7-methyl-3-oxo-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate has a molecular weight of 484.60 g/mol, XLogP of 2.88, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methoxyethyl (2Z)-5-(4-ethoxyphenyl)-7-methyl-3-oxo-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 6167802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).