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

C10H11N3O3S — CID 17248286

IUPACN-(2-methoxyethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCOCCNC(=O)c1cnc2sccn2c1=O
InChIInChI=1S/C10H11N3O3S/c1-16-4-2-11-8(14)7-6-12-10-13(9(7)15)3-5-17-10/h3,5-6H,2,4H2,1H3,(H,11,14)
InChIKeyPKAYRVPQYOVQQG-UHFFFAOYSA-N
MW253.28 g/mol
LogP0.13
Rot. Bonds4

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

N-(2-methoxyethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 17248286) has the molecular formula C10H11N3O3S and a molecular weight of 253.28 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID17248286
Molecular FormulaC10H11N3O3S
Molecular Weight253.28 g/mol
Exact Mass253.05
IUPAC NameN-(2-methoxyethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCOCCNC(=O)c1cnc2sccn2c1=O
InChIInChI=1S/C10H11N3O3S/c1-16-4-2-11-8(14)7-6-12-10-13(9(7)15)3-5-17-10/h3,5-6H,2,4H2,1H3,(H,11,14)
InChIKeyPKAYRVPQYOVQQG-UHFFFAOYSA-N
XLogP0.13
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 50.13
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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Related Compounds

N-butyl-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3240586
5H-Thiazolo[3,2-a]pyrimidin-5-one, 6-(4-morpholinylcarbonyl)-
CID 4293962
N-isobutyl-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4169048
N-(3-methoxypropyl)-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4583472
N-cyclopropyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 17248283
N-(2,2-diethoxyethyl)-7-hydroxy-5-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 135853301
3-methyl-5-oxo-N-(2-sulfanylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 177680073
N-(2-methoxyethyl)-3-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 17248323
7-hydroxy-N-isobutyl-5-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 135853289
5-oxo-N-(propan-2-yl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4393836
N-butyl-7-hydroxy-5-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 135853287
N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 45823634

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 17248286) is N-(2-methoxyethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is COCCNC(=O)c1cnc2sccn2c1=O.
What is the InChIKey of N-(2-methoxyethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is PKAYRVPQYOVQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3S/c1-16-4-2-11-8(14)7-6-12-10-13(9(7)15)3-5-17-10/h3,5-6H,2,4H2,1H3,(H,11,14).
What are the key properties of N-(2-methoxyethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-(2-methoxyethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 253.28 g/mol, XLogP of 0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 17248286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).