2-methoxyethyl (5R)-5-(3,4-dimethoxyphenyl)-7-methyl-3-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

About 2-methoxyethyl (5R)-5-(3,4-dimethoxyphenyl)-7-methyl-3-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

2-methoxyethyl (5R)-5-(3,4-dimethoxyphenyl)-7-methyl-3-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (PubChem CID 98357423) has the molecular formula C26H33N3O7S and a molecular weight of 531.63 g/mol. Its IUPAC name is 2-methoxyethyl (5R)-5-(3,4-dimethoxyphenyl)-7-methyl-3-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Name	2-methoxyethyl (5R)-5-(3,4-dimethoxyphenyl)-7-methyl-3-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
PubChem CID	98357423
Molecular Formula	C26H33N3O7S
Molecular Weight	531.63 g/mol
Exact Mass	531.20
IUPAC Name	2-methoxyethyl (5R)-5-(3,4-dimethoxyphenyl)-7-methyl-3-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SMILES	COCCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NC[C@H]3CCCO3)N2[C@@H]1c1ccc(OC)c(OC)c1
InChI	InChI=1S/C26H33N3O7S/c1-16-23(25(31)36-11-10-32-2)24(17-7-8-20(33-3)21(12-17)34-4)29-18(15-37-26(29)28-16)13-22(30)27-14-19-6-5-9-35-19/h7-8,12,15,19,24H,5-6,9-11,13-14H2,1-4H3,(H,27,30)/t19-,24-/m1/s1
InChIKey	ZIJSXZHMUUVMQA-NTKDMRAZSA-N
XLogP	3.15
TPSA	107.92 Å²
H-Bond Donors	1
H-Bond Acceptors	10
Rotatable Bonds	11
Heavy Atoms	37
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	531.63
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

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 (5R)-5-(3,4-dimethoxyphenyl)-7-methyl-3-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

The IUPAC name of 2-methoxyethyl (5R)-5-(3,4-dimethoxyphenyl)-7-methyl-3-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CID 98357423) is 2-methoxyethyl (5R)-5-(3,4-dimethoxyphenyl)-7-methyl-3-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

What is the SMILES notation for 2-methoxyethyl (5R)-5-(3,4-dimethoxyphenyl)-7-methyl-3-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

The canonical SMILES for 2-methoxyethyl (5R)-5-(3,4-dimethoxyphenyl)-7-methyl-3-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is COCCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NC[C@H]3CCCO3)N2[C@@H]1c1ccc(OC)c(OC)c1.

What is the InChIKey of 2-methoxyethyl (5R)-5-(3,4-dimethoxyphenyl)-7-methyl-3-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

The InChIKey is ZIJSXZHMUUVMQA-NTKDMRAZSA-N. The full InChI is InChI=1S/C26H33N3O7S/c1-16-23(25(31)36-11-10-32-2)24(17-7-8-20(33-3)21(12-17)34-4)29-18(15-37-26(29)28-16)13-22(30)27-14-19-6-5-9-35-19/h7-8,12,15,19,24H,5-6,9-11,13-14H2,1-4H3,(H,27,30)/t19-,24-/m1/s1.

What are the key properties of 2-methoxyethyl (5R)-5-(3,4-dimethoxyphenyl)-7-methyl-3-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

2-methoxyethyl (5R)-5-(3,4-dimethoxyphenyl)-7-methyl-3-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate has a molecular weight of 531.63 g/mol, XLogP of 3.15, 11 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methoxyethyl (5R)-5-(3,4-dimethoxyphenyl)-7-methyl-3-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 98357423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).