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

C26H24N2O3S2 — CID 5208059

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

ethyl 2-cinnamylidene-7-methyl-5-(4-methylsulfanylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (PubChem CID 5208059) has the molecular formula C26H24N2O3S2 and a molecular weight of 476.62 g/mol. Its IUPAC name is ethyl 2-cinnamylidene-7-methyl-5-(4-methylsulfanylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

Molecular Properties

• Compound Name: ethyl 2-cinnamylidene-7-methyl-5-(4-methylsulfanylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
• PubChem CID: 5208059
• Molecular Formula: C26H24N2O3S2
• Molecular Weight: 476.62 g/mol
• Exact Mass: 476.12
• IUPAC Name: ethyl 2-cinnamylidene-7-methyl-5-(4-methylsulfanylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
• SMILES: CCOC(=O)C1=C(C)N=c2sc(=CC=Cc3ccccc3)c(=O)n2C1c1ccc(SC)cc1
• InChI: InChI=1S/C26H24N2O3S2/c1-4-31-25(30)22-17(2)27-26-28(23(22)19-13-15-20(32-3)16-14-19)24(29)21(33-26)12-8-11-18-9-6-5-7-10-18/h5-16,23H,4H2,1-3H3
• InChIKey: BBVSZVJXLLKFOA-UHFFFAOYSA-N
• XLogP: 4.19
• TPSA: 60.66 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.62
LogP ≤ 5	4.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of ethyl 2-cinnamylidene-7-methyl-5-(4-methylsulfanylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

The IUPAC name of ethyl 2-cinnamylidene-7-methyl-5-(4-methylsulfanylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CID 5208059) is ethyl 2-cinnamylidene-7-methyl-5-(4-methylsulfanylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

What is the SMILES notation for ethyl 2-cinnamylidene-7-methyl-5-(4-methylsulfanylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

The canonical SMILES for ethyl 2-cinnamylidene-7-methyl-5-(4-methylsulfanylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is CCOC(=O)C1=C(C)N=c2sc(=CC=Cc3ccccc3)c(=O)n2C1c1ccc(SC)cc1.

What is the InChIKey of ethyl 2-cinnamylidene-7-methyl-5-(4-methylsulfanylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

The InChIKey is BBVSZVJXLLKFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O3S2/c1-4-31-25(30)22-17(2)27-26-28(23(22)19-13-15-20(32-3)16-14-19)24(29)21(33-26)12-8-11-18-9-6-5-7-10-18/h5-16,23H,4H2,1-3H3.

What are the key properties of ethyl 2-cinnamylidene-7-methyl-5-(4-methylsulfanylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

ethyl 2-cinnamylidene-7-methyl-5-(4-methylsulfanylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate has a molecular weight of 476.62 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-cinnamylidene-7-methyl-5-(4-methylsulfanylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 5208059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).