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

C11H13N3O3S — CID 17248323

IUPACN-(2-methoxyethyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCOCCNC(=O)c1cnc2scc(C)n2c1=O
InChIInChI=1S/C11H13N3O3S/c1-7-6-18-11-13-5-8(10(16)14(7)11)9(15)12-3-4-17-2/h5-6H,3-4H2,1-2H3,(H,12,15)
InChIKeyBJRNWPDKNZEETG-UHFFFAOYSA-N
MW267.31 g/mol
LogP0.44
Rot. Bonds4

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

N-(2-methoxyethyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 17248323) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID17248323
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC NameN-(2-methoxyethyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCOCCNC(=O)c1cnc2scc(C)n2c1=O
InChIInChI=1S/C11H13N3O3S/c1-7-6-18-11-13-5-8(10(16)14(7)11)9(15)12-3-4-17-2/h5-6H,3-4H2,1-2H3,(H,12,15)
InChIKeyBJRNWPDKNZEETG-UHFFFAOYSA-N
XLogP0.44
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 50.44
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-(2-methoxyethyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 17248323) is N-(2-methoxyethyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is COCCNC(=O)c1cnc2scc(C)n2c1=O.
What is the InChIKey of N-(2-methoxyethyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is BJRNWPDKNZEETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c1-7-6-18-11-13-5-8(10(16)14(7)11)9(15)12-3-4-17-2/h5-6H,3-4H2,1-2H3,(H,12,15).
What are the key properties of N-(2-methoxyethyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-(2-methoxyethyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 267.31 g/mol, XLogP of 0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 17248323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).