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

C14H19N3O4S — CID 126470545

IUPACN-(2,2-dimethoxyethyl)-N,2,3-trimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCOC(CN(C)C(=O)c1cnc2sc(C)c(C)n2c1=O)OC
InChIInChI=1S/C14H19N3O4S/c1-8-9(2)22-14-15-6-10(13(19)17(8)14)12(18)16(3)7-11(20-4)21-5/h6,11H,7H2,1-5H3
InChIKeyDJTBDHPEJJLMKL-UHFFFAOYSA-N
MW325.39 g/mol
LogP1.06
Rot. Bonds5

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

N-(2,2-dimethoxyethyl)-N,2,3-trimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 126470545) has the molecular formula C14H19N3O4S and a molecular weight of 325.39 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-N,2,3-trimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-N,2,3-trimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID126470545
Molecular FormulaC14H19N3O4S
Molecular Weight325.39 g/mol
Exact Mass325.11
IUPAC NameN-(2,2-dimethoxyethyl)-N,2,3-trimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCOC(CN(C)C(=O)c1cnc2sc(C)c(C)n2c1=O)OC
InChIInChI=1S/C14H19N3O4S/c1-8-9(2)22-14-15-6-10(13(19)17(8)14)12(18)16(3)7-11(20-4)21-5/h6,11H,7H2,1-5H3
InChIKeyDJTBDHPEJJLMKL-UHFFFAOYSA-N
XLogP1.06
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-N,2,3-trimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(2,2-dimethoxyethyl)-N,2,3-trimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 126470545) is N-(2,2-dimethoxyethyl)-N,2,3-trimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-N,2,3-trimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(2,2-dimethoxyethyl)-N,2,3-trimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is COC(CN(C)C(=O)c1cnc2sc(C)c(C)n2c1=O)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-N,2,3-trimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is DJTBDHPEJJLMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4S/c1-8-9(2)22-14-15-6-10(13(19)17(8)14)12(18)16(3)7-11(20-4)21-5/h6,11H,7H2,1-5H3.
What are the key properties of N-(2,2-dimethoxyethyl)-N,2,3-trimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-(2,2-dimethoxyethyl)-N,2,3-trimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 325.39 g/mol, XLogP of 1.06, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-N,2,3-trimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 126470545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).