7-ethyl-N-(2-methoxyethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C12H15N3O3S — CID 126469385

IUPAC7-ethyl-N-(2-methoxyethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCc1nc2sccn2c(=O)c1C(=O)NCCOC
InChIInChI=1S/C12H15N3O3S/c1-3-8-9(10(16)13-4-6-18-2)11(17)15-5-7-19-12(15)14-8/h5,7H,3-4,6H2,1-2H3,(H,13,16)
InChIKeyDQXZJTFIADESJW-UHFFFAOYSA-N
MW281.34 g/mol
LogP0.69
Rot. Bonds5

About 7-ethyl-N-(2-methoxyethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

7-ethyl-N-(2-methoxyethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 126469385) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is 7-ethyl-N-(2-methoxyethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-ethyl-N-(2-methoxyethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID126469385
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC Name7-ethyl-N-(2-methoxyethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCc1nc2sccn2c(=O)c1C(=O)NCCOC
InChIInChI=1S/C12H15N3O3S/c1-3-8-9(10(16)13-4-6-18-2)11(17)15-5-7-19-12(15)14-8/h5,7H,3-4,6H2,1-2H3,(H,13,16)
InChIKeyDQXZJTFIADESJW-UHFFFAOYSA-N
XLogP0.69
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-N-(2-methoxyethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-ethyl-N-(2-methoxyethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 126469385) is 7-ethyl-N-(2-methoxyethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-ethyl-N-(2-methoxyethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-ethyl-N-(2-methoxyethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CCc1nc2sccn2c(=O)c1C(=O)NCCOC.
What is the InChIKey of 7-ethyl-N-(2-methoxyethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is DQXZJTFIADESJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c1-3-8-9(10(16)13-4-6-18-2)11(17)15-5-7-19-12(15)14-8/h5,7H,3-4,6H2,1-2H3,(H,13,16).
What are the key properties of 7-ethyl-N-(2-methoxyethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
7-ethyl-N-(2-methoxyethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 281.34 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-N-(2-methoxyethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 126469385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).