ethyl 5-(furan-2-yl)-7-methyl-3-[2-oxo-2-(propan-2-ylamino)ethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

C19H23N3O4S — CID 42827816

About ethyl 5-(furan-2-yl)-7-methyl-3-[2-oxo-2-(propan-2-ylamino)ethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

ethyl 5-(furan-2-yl)-7-methyl-3-[2-oxo-2-(propan-2-ylamino)ethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (PubChem CID 42827816) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is ethyl 5-(furan-2-yl)-7-methyl-3-[2-oxo-2-(propan-2-ylamino)ethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

Molecular Properties

• Compound Name: ethyl 5-(furan-2-yl)-7-methyl-3-[2-oxo-2-(propan-2-ylamino)ethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
• PubChem CID: 42827816
• Molecular Formula: C19H23N3O4S
• Molecular Weight: 389.48 g/mol
• Exact Mass: 389.14
• IUPAC Name: ethyl 5-(furan-2-yl)-7-methyl-3-[2-oxo-2-(propan-2-ylamino)ethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
• SMILES: CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NC(C)C)N2C1c1ccco1
• InChI: InChI=1S/C19H23N3O4S/c1-5-25-18(24)16-12(4)21-19-22(17(16)14-7-6-8-26-14)13(10-27-19)9-15(23)20-11(2)3/h6-8,10-11,17H,5,9H2,1-4H3,(H,20,23)
• InChIKey: HKYIGTULOSJYBE-UHFFFAOYSA-N
• XLogP: 3.33
• TPSA: 84.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.48
LogP ≤ 5	3.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of ethyl 5-(furan-2-yl)-7-methyl-3-[2-oxo-2-(propan-2-ylamino)ethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CID 42827816) is ethyl 5-(furan-2-yl)-7-methyl-3-[2-oxo-2-(propan-2-ylamino)ethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

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

The canonical SMILES for ethyl 5-(furan-2-yl)-7-methyl-3-[2-oxo-2-(propan-2-ylamino)ethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NC(C)C)N2C1c1ccco1.

What is the InChIKey of ethyl 5-(furan-2-yl)-7-methyl-3-[2-oxo-2-(propan-2-ylamino)ethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

The InChIKey is HKYIGTULOSJYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-5-25-18(24)16-12(4)21-19-22(17(16)14-7-6-8-26-14)13(10-27-19)9-15(23)20-11(2)3/h6-8,10-11,17H,5,9H2,1-4H3,(H,20,23).

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

ethyl 5-(furan-2-yl)-7-methyl-3-[2-oxo-2-(propan-2-ylamino)ethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate has a molecular weight of 389.48 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 5-(furan-2-yl)-7-methyl-3-[2-oxo-2-(propan-2-ylamino)ethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 42827816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).