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

C13H17N3O3S — CID 17248333

IUPACN-(3-ethoxypropyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCOCCCNC(=O)c1cnc2scc(C)n2c1=O
InChIInChI=1S/C13H17N3O3S/c1-3-19-6-4-5-14-11(17)10-7-15-13-16(12(10)18)9(2)8-20-13/h7-8H,3-6H2,1-2H3,(H,14,17)
InChIKeyUJWMWDMUYNQFDR-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.22
Rot. Bonds6

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

N-(3-ethoxypropyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 17248333) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID17248333
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC NameN-(3-ethoxypropyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCOCCCNC(=O)c1cnc2scc(C)n2c1=O
InChIInChI=1S/C13H17N3O3S/c1-3-19-6-4-5-14-11(17)10-7-15-13-16(12(10)18)9(2)8-20-13/h7-8H,3-6H2,1-2H3,(H,14,17)
InChIKeyUJWMWDMUYNQFDR-UHFFFAOYSA-N
XLogP1.22
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.22
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 N-(3-ethoxypropyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(3-ethoxypropyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 17248333) is N-(3-ethoxypropyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(3-ethoxypropyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(3-ethoxypropyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CCOCCCNC(=O)c1cnc2scc(C)n2c1=O.
What is the InChIKey of N-(3-ethoxypropyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is UJWMWDMUYNQFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-3-19-6-4-5-14-11(17)10-7-15-13-16(12(10)18)9(2)8-20-13/h7-8H,3-6H2,1-2H3,(H,14,17).
What are the key properties of N-(3-ethoxypropyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-(3-ethoxypropyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 295.36 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 17248333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).