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

C21H19N5O3S — CID 53338036

IUPACN-(2-ethylphenyl)-2-(6-methyl-5,7-dioxo-3-pyridin-2-yl-[1,2]thiazolo[4,5-d]pyrimidin-4-yl)acetamide
SMILESCCc1ccccc1NC(=O)Cn1c(=O)n(C)c(=O)c2snc(-c3ccccn3)c21
InChIInChI=1S/C21H19N5O3S/c1-3-13-8-4-5-9-14(13)23-16(27)12-26-18-17(15-10-6-7-11-22-15)24-30-19(18)20(28)25(2)21(26)29/h4-11H,3,12H2,1-2H3,(H,23,27)
InChIKeyVCWLXMPBUMRQFC-UHFFFAOYSA-N
MW421.48 g/mol
LogP2.42
Rot. Bonds5

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

N-(2-ethylphenyl)-2-(6-methyl-5,7-dioxo-3-pyridin-2-yl-[1,2]thiazolo[4,5-d]pyrimidin-4-yl)acetamide (PubChem CID 53338036) has the molecular formula C21H19N5O3S and a molecular weight of 421.48 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-(6-methyl-5,7-dioxo-3-pyridin-2-yl-[1,2]thiazolo[4,5-d]pyrimidin-4-yl)acetamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-(6-methyl-5,7-dioxo-3-pyridin-2-yl-[1,2]thiazolo[4,5-d]pyrimidin-4-yl)acetamide
PubChem CID53338036
Molecular FormulaC21H19N5O3S
Molecular Weight421.48 g/mol
Exact Mass421.12
IUPAC NameN-(2-ethylphenyl)-2-(6-methyl-5,7-dioxo-3-pyridin-2-yl-[1,2]thiazolo[4,5-d]pyrimidin-4-yl)acetamide
SMILESCCc1ccccc1NC(=O)Cn1c(=O)n(C)c(=O)c2snc(-c3ccccn3)c21
InChIInChI=1S/C21H19N5O3S/c1-3-13-8-4-5-9-14(13)23-16(27)12-26-18-17(15-10-6-7-11-22-15)24-30-19(18)20(28)25(2)21(26)29/h4-11H,3,12H2,1-2H3,(H,23,27)
InChIKeyVCWLXMPBUMRQFC-UHFFFAOYSA-N
XLogP2.42
TPSA98.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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
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
4-[(4-chlorophenyl)methyl]-6-ethyl-3-pyridin-2-yl-[1,2]thiazolo[4,5-d]pyrimidine-5,7-dione
CID 53169259
N,N'-bis(2-ethylphenyl)propanediamide
CID 3881876
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-pyridin-2-ylacetamide
CID 18142520
2-(6-benzyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(2-ethylphenyl)acetamide
CID 53153032
N-[2-(2-ethylanilino)-2-oxoethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 27768196
N-(2-ethylphenyl)-2-(3-iodo-1,2,4-triazol-1-yl)acetamide
CID 9419431
N-(2-ethylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 6469187

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-(6-methyl-5,7-dioxo-3-pyridin-2-yl-[1,2]thiazolo[4,5-d]pyrimidin-4-yl)acetamide?
The IUPAC name of 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) is N-(2-ethylphenyl)-2-(6-methyl-5,7-dioxo-3-pyridin-2-yl-[1,2]thiazolo[4,5-d]pyrimidin-4-yl)acetamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-(6-methyl-5,7-dioxo-3-pyridin-2-yl-[1,2]thiazolo[4,5-d]pyrimidin-4-yl)acetamide?
The canonical SMILES for N-(2-ethylphenyl)-2-(6-methyl-5,7-dioxo-3-pyridin-2-yl-[1,2]thiazolo[4,5-d]pyrimidin-4-yl)acetamide is CCc1ccccc1NC(=O)Cn1c(=O)n(C)c(=O)c2snc(-c3ccccn3)c21.
What is the InChIKey of N-(2-ethylphenyl)-2-(6-methyl-5,7-dioxo-3-pyridin-2-yl-[1,2]thiazolo[4,5-d]pyrimidin-4-yl)acetamide?
The InChIKey is VCWLXMPBUMRQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3S/c1-3-13-8-4-5-9-14(13)23-16(27)12-26-18-17(15-10-6-7-11-22-15)24-30-19(18)20(28)25(2)21(26)29/h4-11H,3,12H2,1-2H3,(H,23,27).
What are the key properties of N-(2-ethylphenyl)-2-(6-methyl-5,7-dioxo-3-pyridin-2-yl-[1,2]thiazolo[4,5-d]pyrimidin-4-yl)acetamide?
N-(2-ethylphenyl)-2-(6-methyl-5,7-dioxo-3-pyridin-2-yl-[1,2]thiazolo[4,5-d]pyrimidin-4-yl)acetamide has a molecular weight of 421.48 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-(6-methyl-5,7-dioxo-3-pyridin-2-yl-[1,2]thiazolo[4,5-d]pyrimidin-4-yl)acetamide is sourced from PubChem (CID 53338036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).