2-(5,7-dioxo-6-propyl-3-pyridin-2-yl-[1,2]thiazolo[4,5-d]pyrimidin-4-yl)-N-(2-ethylphenyl)acetamide

C23H23N5O3S — CID 53338042

IUPAC2-(5,7-dioxo-6-propyl-3-pyridin-2-yl-[1,2]thiazolo[4,5-d]pyrimidin-4-yl)-N-(2-ethylphenyl)acetamide
SMILESCCCn1c(=O)c2snc(-c3ccccn3)c2n(CC(=O)Nc2ccccc2CC)c1=O
InChIInChI=1S/C23H23N5O3S/c1-3-13-27-22(30)21-20(19(26-32-21)17-11-7-8-12-24-17)28(23(27)31)14-18(29)25-16-10-6-5-9-15(16)4-2/h5-12H,3-4,13-14H2,1-2H3,(H,25,29)
InChIKeyMLHWQSPXIJOLES-UHFFFAOYSA-N
MW449.54 g/mol
LogP3.29
Rot. Bonds7

About 2-(5,7-dioxo-6-propyl-3-pyridin-2-yl-[1,2]thiazolo[4,5-d]pyrimidin-4-yl)-N-(2-ethylphenyl)acetamide

2-(5,7-dioxo-6-propyl-3-pyridin-2-yl-[1,2]thiazolo[4,5-d]pyrimidin-4-yl)-N-(2-ethylphenyl)acetamide (PubChem CID 53338042) has the molecular formula C23H23N5O3S and a molecular weight of 449.54 g/mol. Its IUPAC name is 2-(5,7-dioxo-6-propyl-3-pyridin-2-yl-[1,2]thiazolo[4,5-d]pyrimidin-4-yl)-N-(2-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-(5,7-dioxo-6-propyl-3-pyridin-2-yl-[1,2]thiazolo[4,5-d]pyrimidin-4-yl)-N-(2-ethylphenyl)acetamide
PubChem CID53338042
Molecular FormulaC23H23N5O3S
Molecular Weight449.54 g/mol
Exact Mass449.15
IUPAC Name2-(5,7-dioxo-6-propyl-3-pyridin-2-yl-[1,2]thiazolo[4,5-d]pyrimidin-4-yl)-N-(2-ethylphenyl)acetamide
SMILESCCCn1c(=O)c2snc(-c3ccccn3)c2n(CC(=O)Nc2ccccc2CC)c1=O
InChIInChI=1S/C23H23N5O3S/c1-3-13-27-22(30)21-20(19(26-32-21)17-11-7-8-12-24-17)28(23(27)31)14-18(29)25-16-10-6-5-9-15(16)4-2/h5-12H,3-4,13-14H2,1-2H3,(H,25,29)
InChIKeyMLHWQSPXIJOLES-UHFFFAOYSA-N
XLogP3.29
TPSA98.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.54
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(5,7-dioxo-6-propyl-3-pyridin-2-yl-[1,2]thiazolo[4,5-d]pyrimidin-4-yl)-N-(2-ethylphenyl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(2-ethylphenyl)-2-(6-methyl-5,7-dioxo-3-pyridin-2-yl-[1,2]thiazolo[4,5-d]pyrimidin-4-yl)acetamide
CID 53338036
N-benzyl-2-(6-methyl-5,7-dioxo-3-pyridin-2-yl-[1,2]thiazolo[4,5-d]pyrimidin-4-yl)acetamide
CID 53338035
N-(3-chloro-2-methylphenyl)-2-(5-ethyl-7-oxo-3-pyridin-2-yl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)acetamide
CID 171146108
N-(3,5-dimethylphenyl)-2-(5-ethyl-7-oxo-3-pyridin-2-yl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)acetamide
CID 171146110
N-(2-ethylphenyl)-2-(2-oxo-3-phenylimidazo[4,5-b]pyridin-1-yl)acetamide
CID 71841504
2-(6-benzyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(2-ethylphenyl)acetamide
CID 53153032
N,N'-bis(2-ethylphenyl)propanediamide
CID 3881876
2-(5,7-dioxo-6-propyl-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)-N-(2-ethoxyphenyl)acetamide
CID 46391047
2-(8-butyl-7,12-dioxo-5-thia-1,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,9-trien-11-yl)-N-(2-ethylphenyl)acetamide
CID 53199398
5-[1-[2-(2-ethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-propan-2-ylpentanamide
CID 50762797
N-(2,3-dimethylphenyl)-2-(5,7-dioxo-6-propyl-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)acetamide
CID 53153157
N-[2-(2-ethylanilino)-2-oxoethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 27768196

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dioxo-6-propyl-3-pyridin-2-yl-[1,2]thiazolo[4,5-d]pyrimidin-4-yl)-N-(2-ethylphenyl)acetamide?
The IUPAC name of 2-(5,7-dioxo-6-propyl-3-pyridin-2-yl-[1,2]thiazolo[4,5-d]pyrimidin-4-yl)-N-(2-ethylphenyl)acetamide (CID 53338042) is 2-(5,7-dioxo-6-propyl-3-pyridin-2-yl-[1,2]thiazolo[4,5-d]pyrimidin-4-yl)-N-(2-ethylphenyl)acetamide.
What is the SMILES notation for 2-(5,7-dioxo-6-propyl-3-pyridin-2-yl-[1,2]thiazolo[4,5-d]pyrimidin-4-yl)-N-(2-ethylphenyl)acetamide?
The canonical SMILES for 2-(5,7-dioxo-6-propyl-3-pyridin-2-yl-[1,2]thiazolo[4,5-d]pyrimidin-4-yl)-N-(2-ethylphenyl)acetamide is CCCn1c(=O)c2snc(-c3ccccn3)c2n(CC(=O)Nc2ccccc2CC)c1=O.
What is the InChIKey of 2-(5,7-dioxo-6-propyl-3-pyridin-2-yl-[1,2]thiazolo[4,5-d]pyrimidin-4-yl)-N-(2-ethylphenyl)acetamide?
The InChIKey is MLHWQSPXIJOLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3S/c1-3-13-27-22(30)21-20(19(26-32-21)17-11-7-8-12-24-17)28(23(27)31)14-18(29)25-16-10-6-5-9-15(16)4-2/h5-12H,3-4,13-14H2,1-2H3,(H,25,29).
What are the key properties of 2-(5,7-dioxo-6-propyl-3-pyridin-2-yl-[1,2]thiazolo[4,5-d]pyrimidin-4-yl)-N-(2-ethylphenyl)acetamide?
2-(5,7-dioxo-6-propyl-3-pyridin-2-yl-[1,2]thiazolo[4,5-d]pyrimidin-4-yl)-N-(2-ethylphenyl)acetamide has a molecular weight of 449.54 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dioxo-6-propyl-3-pyridin-2-yl-[1,2]thiazolo[4,5-d]pyrimidin-4-yl)-N-(2-ethylphenyl)acetamide is sourced from PubChem (CID 53338042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).