ethyl (5S)-2-(furan-2-ylmethylidene)-7-methyl-3-oxo-5-[(Z)-2-phenylethenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

C23H20N2O4S — CID 129441966

About ethyl (5S)-2-(furan-2-ylmethylidene)-7-methyl-3-oxo-5-[(Z)-2-phenylethenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

ethyl (5S)-2-(furan-2-ylmethylidene)-7-methyl-3-oxo-5-[(Z)-2-phenylethenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (PubChem CID 129441966) has the molecular formula C23H20N2O4S and a molecular weight of 420.49 g/mol. Its IUPAC name is ethyl (5S)-2-(furan-2-ylmethylidene)-7-methyl-3-oxo-5-[(Z)-2-phenylethenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

Molecular Properties

• Compound Name: ethyl (5S)-2-(furan-2-ylmethylidene)-7-methyl-3-oxo-5-[(Z)-2-phenylethenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
• PubChem CID: 129441966
• Molecular Formula: C23H20N2O4S
• Molecular Weight: 420.49 g/mol
• Exact Mass: 420.11
• IUPAC Name: ethyl (5S)-2-(furan-2-ylmethylidene)-7-methyl-3-oxo-5-[(Z)-2-phenylethenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
• SMILES: CCOC(=O)C1=C(C)N=c2sc(=Cc3ccco3)c(=O)n2[C@H]1/C=C\c1ccccc1
• InChI: InChI=1S/C23H20N2O4S/c1-3-28-22(27)20-15(2)24-23-25(18(20)12-11-16-8-5-4-6-9-16)21(26)19(30-23)14-17-10-7-13-29-17/h4-14,18H,3H2,1-2H3/b12-11-,19-14?/t18-/m0/s1
• InChIKey: CVTBKJODVFNRKP-JNUHNZCKSA-N
• XLogP: 3.06
• TPSA: 73.80 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.49
LogP ≤ 5	3.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of ethyl (5S)-2-(furan-2-ylmethylidene)-7-methyl-3-oxo-5-[(Z)-2-phenylethenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

The IUPAC name of ethyl (5S)-2-(furan-2-ylmethylidene)-7-methyl-3-oxo-5-[(Z)-2-phenylethenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CID 129441966) is ethyl (5S)-2-(furan-2-ylmethylidene)-7-methyl-3-oxo-5-[(Z)-2-phenylethenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

What is the SMILES notation for ethyl (5S)-2-(furan-2-ylmethylidene)-7-methyl-3-oxo-5-[(Z)-2-phenylethenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

The canonical SMILES for ethyl (5S)-2-(furan-2-ylmethylidene)-7-methyl-3-oxo-5-[(Z)-2-phenylethenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is CCOC(=O)C1=C(C)N=c2sc(=Cc3ccco3)c(=O)n2[C@H]1/C=C\c1ccccc1.

What is the InChIKey of ethyl (5S)-2-(furan-2-ylmethylidene)-7-methyl-3-oxo-5-[(Z)-2-phenylethenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

The InChIKey is CVTBKJODVFNRKP-JNUHNZCKSA-N. The full InChI is InChI=1S/C23H20N2O4S/c1-3-28-22(27)20-15(2)24-23-25(18(20)12-11-16-8-5-4-6-9-16)21(26)19(30-23)14-17-10-7-13-29-17/h4-14,18H,3H2,1-2H3/b12-11-,19-14?/t18-/m0/s1.

What are the key properties of ethyl (5S)-2-(furan-2-ylmethylidene)-7-methyl-3-oxo-5-[(Z)-2-phenylethenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

ethyl (5S)-2-(furan-2-ylmethylidene)-7-methyl-3-oxo-5-[(Z)-2-phenylethenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate has a molecular weight of 420.49 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (5S)-2-(furan-2-ylmethylidene)-7-methyl-3-oxo-5-[(Z)-2-phenylethenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 129441966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).