methyl 5-(2-chlorophenyl)-2-[3-(2-methoxyphenyl)prop-2-enylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

C25H21ClN2O4S — CID 23963005

About methyl 5-(2-chlorophenyl)-2-[3-(2-methoxyphenyl)prop-2-enylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

methyl 5-(2-chlorophenyl)-2-[3-(2-methoxyphenyl)prop-2-enylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (PubChem CID 23963005) has the molecular formula C25H21ClN2O4S and a molecular weight of 480.97 g/mol. Its IUPAC name is methyl 5-(2-chlorophenyl)-2-[3-(2-methoxyphenyl)prop-2-enylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

Molecular Properties

• Compound Name: methyl 5-(2-chlorophenyl)-2-[3-(2-methoxyphenyl)prop-2-enylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
• PubChem CID: 23963005
• Molecular Formula: C25H21ClN2O4S
• Molecular Weight: 480.97 g/mol
• Exact Mass: 480.09
• IUPAC Name: methyl 5-(2-chlorophenyl)-2-[3-(2-methoxyphenyl)prop-2-enylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
• SMILES: COC(=O)C1=C(C)N=c2sc(=CC=Cc3ccccc3OC)c(=O)n2C1c1ccccc1Cl
• InChI: InChI=1S/C25H21ClN2O4S/c1-15-21(24(30)32-3)22(17-11-5-6-12-18(17)26)28-23(29)20(33-25(28)27-15)14-8-10-16-9-4-7-13-19(16)31-2/h4-14,22H,1-3H3
• InChIKey: ASYWEYZAUTZEQC-UHFFFAOYSA-N
• XLogP: 3.74
• TPSA: 69.89 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.97
LogP ≤ 5	3.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of methyl 5-(2-chlorophenyl)-2-[3-(2-methoxyphenyl)prop-2-enylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

The IUPAC name of methyl 5-(2-chlorophenyl)-2-[3-(2-methoxyphenyl)prop-2-enylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CID 23963005) is methyl 5-(2-chlorophenyl)-2-[3-(2-methoxyphenyl)prop-2-enylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

What is the SMILES notation for methyl 5-(2-chlorophenyl)-2-[3-(2-methoxyphenyl)prop-2-enylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

The canonical SMILES for methyl 5-(2-chlorophenyl)-2-[3-(2-methoxyphenyl)prop-2-enylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is COC(=O)C1=C(C)N=c2sc(=CC=Cc3ccccc3OC)c(=O)n2C1c1ccccc1Cl.

What is the InChIKey of methyl 5-(2-chlorophenyl)-2-[3-(2-methoxyphenyl)prop-2-enylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

The InChIKey is ASYWEYZAUTZEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN2O4S/c1-15-21(24(30)32-3)22(17-11-5-6-12-18(17)26)28-23(29)20(33-25(28)27-15)14-8-10-16-9-4-7-13-19(16)31-2/h4-14,22H,1-3H3.

What are the key properties of methyl 5-(2-chlorophenyl)-2-[3-(2-methoxyphenyl)prop-2-enylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

methyl 5-(2-chlorophenyl)-2-[3-(2-methoxyphenyl)prop-2-enylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate has a molecular weight of 480.97 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 5-(2-chlorophenyl)-2-[3-(2-methoxyphenyl)prop-2-enylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 23963005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).