N-ethyl-N-(2-hydroxyethyl)-3-(4-methoxyphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C18H19N3O4S — CID 126469295

IUPACN-ethyl-N-(2-hydroxyethyl)-3-(4-methoxyphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCN(CCO)C(=O)c1cnc2scc(-c3ccc(OC)cc3)n2c1=O
InChIInChI=1S/C18H19N3O4S/c1-3-20(8-9-22)16(23)14-10-19-18-21(17(14)24)15(11-26-18)12-4-6-13(25-2)7-5-12/h4-7,10-11,22H,3,8-9H2,1-2H3
InChIKeyWAKKJRLHOFIXLS-UHFFFAOYSA-N
MW373.43 g/mol
LogP1.89
Rot. Bonds6

About N-ethyl-N-(2-hydroxyethyl)-3-(4-methoxyphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-ethyl-N-(2-hydroxyethyl)-3-(4-methoxyphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 126469295) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxyethyl)-3-(4-methoxyphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxyethyl)-3-(4-methoxyphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID126469295
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC NameN-ethyl-N-(2-hydroxyethyl)-3-(4-methoxyphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCN(CCO)C(=O)c1cnc2scc(-c3ccc(OC)cc3)n2c1=O
InChIInChI=1S/C18H19N3O4S/c1-3-20(8-9-22)16(23)14-10-19-18-21(17(14)24)15(11-26-18)12-4-6-13(25-2)7-5-12/h4-7,10-11,22H,3,8-9H2,1-2H3
InChIKeyWAKKJRLHOFIXLS-UHFFFAOYSA-N
XLogP1.89
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-ethyl-N-(2-hydroxyethyl)-3-(4-methoxyphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxyethyl)-3-(4-methoxyphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-ethyl-N-(2-hydroxyethyl)-3-(4-methoxyphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 126469295) is N-ethyl-N-(2-hydroxyethyl)-3-(4-methoxyphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxyethyl)-3-(4-methoxyphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-ethyl-N-(2-hydroxyethyl)-3-(4-methoxyphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CCN(CCO)C(=O)c1cnc2scc(-c3ccc(OC)cc3)n2c1=O.
What is the InChIKey of N-ethyl-N-(2-hydroxyethyl)-3-(4-methoxyphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is WAKKJRLHOFIXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S/c1-3-20(8-9-22)16(23)14-10-19-18-21(17(14)24)15(11-26-18)12-4-6-13(25-2)7-5-12/h4-7,10-11,22H,3,8-9H2,1-2H3.
What are the key properties of N-ethyl-N-(2-hydroxyethyl)-3-(4-methoxyphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-ethyl-N-(2-hydroxyethyl)-3-(4-methoxyphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 373.43 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxyethyl)-3-(4-methoxyphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 126469295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).