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

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Related Compounds

N-(4-methoxyphenyl)-3-(4-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 17248607
3-(3-methoxyphenyl)-N-methyl-5-oxo-N-prop-2-enyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126470182
N-ethyl-N-(2-hydroxyethyl)-4-methoxybenzamide
CID 39245676
3-(3-methoxyphenyl)-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126470688
N-(3-methoxyphenyl)-5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3341720
N-methoxy-3-(3-methoxyphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126469254
3-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid
CID 44754715
N-(1-hydroxybutan-2-yl)-5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126470131
N-ethyl-N-(2-hydroxyethyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 78796165
N-ethyl-N-(2-hydroxyethyl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide
CID 78798322
N-(2,2-dimethylpropyl)-5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126470670
3-(4-propoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82062009

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).