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

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

2-methoxyethyl 7-methyl-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (PubChem CID 42828634) has the molecular formula C22H27N3O5S2 and a molecular weight of 477.61 g/mol. Its IUPAC name is 2-methoxyethyl 7-methyl-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Name	2-methoxyethyl 7-methyl-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
PubChem CID	42828634
Molecular Formula	C22H27N3O5S2
Molecular Weight	477.61 g/mol
Exact Mass	477.14
IUPAC Name	2-methoxyethyl 7-methyl-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SMILES	COCCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCC3CCCO3)N2C1c1cccs1
InChI	InChI=1S/C22H27N3O5S2/c1-14-19(21(27)30-9-8-28-2)20(17-6-4-10-31-17)25-15(13-32-22(25)24-14)11-18(26)23-12-16-5-3-7-29-16/h4,6,10,13,16,20H,3,5,7-9,11-12H2,1-2H3,(H,23,26)
InChIKey	ZTSHCVBMMZWRSJ-UHFFFAOYSA-N
XLogP	3.20
TPSA	89.46 Å²
H-Bond Donors	1
H-Bond Acceptors	9
Rotatable Bonds	9
Heavy Atoms	32
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.61
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

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

The IUPAC name of 2-methoxyethyl 7-methyl-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CID 42828634) is 2-methoxyethyl 7-methyl-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

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

The canonical SMILES for 2-methoxyethyl 7-methyl-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is COCCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCC3CCCO3)N2C1c1cccs1.

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

The InChIKey is ZTSHCVBMMZWRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O5S2/c1-14-19(21(27)30-9-8-28-2)20(17-6-4-10-31-17)25-15(13-32-22(25)24-14)11-18(26)23-12-16-5-3-7-29-16/h4,6,10,13,16,20H,3,5,7-9,11-12H2,1-2H3,(H,23,26).

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

2-methoxyethyl 7-methyl-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate has a molecular weight of 477.61 g/mol, XLogP of 3.20, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methoxyethyl 7-methyl-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 42828634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).