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

C19H23N3O3S2 — CID 42828058

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

ethyl 7-methyl-3-[2-oxo-2-(propan-2-ylamino)ethyl]-5-thiophen-3-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (PubChem CID 42828058) has the molecular formula C19H23N3O3S2 and a molecular weight of 405.55 g/mol. Its IUPAC name is ethyl 7-methyl-3-[2-oxo-2-(propan-2-ylamino)ethyl]-5-thiophen-3-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

Molecular Properties

• Compound Name: ethyl 7-methyl-3-[2-oxo-2-(propan-2-ylamino)ethyl]-5-thiophen-3-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
• PubChem CID: 42828058
• Molecular Formula: C19H23N3O3S2
• Molecular Weight: 405.55 g/mol
• Exact Mass: 405.12
• IUPAC Name: ethyl 7-methyl-3-[2-oxo-2-(propan-2-ylamino)ethyl]-5-thiophen-3-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
• SMILES: CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NC(C)C)N2C1c1ccsc1
• InChI: InChI=1S/C19H23N3O3S2/c1-5-25-18(24)16-12(4)21-19-22(17(16)13-6-7-26-9-13)14(10-27-19)8-15(23)20-11(2)3/h6-7,9-11,17H,5,8H2,1-4H3,(H,20,23)
• InChIKey: UHHGDRBREZOGTK-UHFFFAOYSA-N
• XLogP: 3.80
• TPSA: 71.00 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	405.55
LogP ≤ 5	3.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of ethyl 7-methyl-3-[2-oxo-2-(propan-2-ylamino)ethyl]-5-thiophen-3-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CID 42828058) is ethyl 7-methyl-3-[2-oxo-2-(propan-2-ylamino)ethyl]-5-thiophen-3-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

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

The canonical SMILES for ethyl 7-methyl-3-[2-oxo-2-(propan-2-ylamino)ethyl]-5-thiophen-3-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NC(C)C)N2C1c1ccsc1.

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

The InChIKey is UHHGDRBREZOGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S2/c1-5-25-18(24)16-12(4)21-19-22(17(16)13-6-7-26-9-13)14(10-27-19)8-15(23)20-11(2)3/h6-7,9-11,17H,5,8H2,1-4H3,(H,20,23).

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

ethyl 7-methyl-3-[2-oxo-2-(propan-2-ylamino)ethyl]-5-thiophen-3-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate has a molecular weight of 405.55 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 7-methyl-3-[2-oxo-2-(propan-2-ylamino)ethyl]-5-thiophen-3-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 42828058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).