N-(3,5-dimethylphenyl)-2-(5-ethyl-7-oxo-3-pyridin-2-yl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)acetamide

C22H21N5O2S — CID 171146110

IUPACN-(3,5-dimethylphenyl)-2-(5-ethyl-7-oxo-3-pyridin-2-yl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)acetamide
SMILESCCc1nc2c(-c3ccccn3)nsc2c(=O)n1CC(=O)Nc1cc(C)cc(C)c1
InChIInChI=1S/C22H21N5O2S/c1-4-17-25-20-19(16-7-5-6-8-23-16)26-30-21(20)22(29)27(17)12-18(28)24-15-10-13(2)9-14(3)11-15/h5-11H,4,12H2,1-3H3,(H,24,28)
InChIKeyGKIYXPAQJGWPGZ-UHFFFAOYSA-N
MW419.51 g/mol
LogP3.73
Rot. Bonds5

About N-(3,5-dimethylphenyl)-2-(5-ethyl-7-oxo-3-pyridin-2-yl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)acetamide

N-(3,5-dimethylphenyl)-2-(5-ethyl-7-oxo-3-pyridin-2-yl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)acetamide (PubChem CID 171146110) has the molecular formula C22H21N5O2S and a molecular weight of 419.51 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-(5-ethyl-7-oxo-3-pyridin-2-yl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)acetamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-(5-ethyl-7-oxo-3-pyridin-2-yl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)acetamide
PubChem CID171146110
Molecular FormulaC22H21N5O2S
Molecular Weight419.51 g/mol
Exact Mass419.14
IUPAC NameN-(3,5-dimethylphenyl)-2-(5-ethyl-7-oxo-3-pyridin-2-yl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)acetamide
SMILESCCc1nc2c(-c3ccccn3)nsc2c(=O)n1CC(=O)Nc1cc(C)cc(C)c1
InChIInChI=1S/C22H21N5O2S/c1-4-17-25-20-19(16-7-5-6-8-23-16)26-30-21(20)22(29)27(17)12-18(28)24-15-10-13(2)9-14(3)11-15/h5-11H,4,12H2,1-3H3,(H,24,28)
InChIKeyGKIYXPAQJGWPGZ-UHFFFAOYSA-N
XLogP3.73
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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-chlorophenyl)-2-(5-ethyl-7-oxo-3-pyridin-4-yl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)acetamide
CID 53148096
N-(2-chloro-4-methylphenyl)-2-(5-ethyl-7-oxo-3-pyridin-4-yl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)acetamide
CID 53148108
N-(2-ethyl-6-methylphenyl)-2-(5-ethyl-7-oxo-3-pyridin-4-yl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)acetamide
CID 53148110
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-(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-(3-acetylphenyl)-2-(4-ethyl-6-oxo-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-5-yl)acetamide
CID 50833996
2-(5-methyl-7-oxo-3-pyridin-4-yl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)-N-(4-methylphenyl)acetamide
CID 53148052
N-(3-chlorophenyl)-2-(5-methyl-7-oxo-3-pyridin-4-yl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)acetamide
CID 53148061
N-(3,5-dimethylphenyl)-2-(4-ethyl-6-oxo-2-phenylpyrimidin-1-yl)acetamide
CID 91887464
N-(3-methylphenyl)-2-[(7-oxo-3-phenyl-6-propyl-[1,2]thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl]acetamide
CID 50841774
N-(3,5-dimethylphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 670646

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-(5-ethyl-7-oxo-3-pyridin-2-yl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)acetamide?
The IUPAC name of 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) is N-(3,5-dimethylphenyl)-2-(5-ethyl-7-oxo-3-pyridin-2-yl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)acetamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-(5-ethyl-7-oxo-3-pyridin-2-yl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)acetamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-(5-ethyl-7-oxo-3-pyridin-2-yl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)acetamide is CCc1nc2c(-c3ccccn3)nsc2c(=O)n1CC(=O)Nc1cc(C)cc(C)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-(5-ethyl-7-oxo-3-pyridin-2-yl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)acetamide?
The InChIKey is GKIYXPAQJGWPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2S/c1-4-17-25-20-19(16-7-5-6-8-23-16)26-30-21(20)22(29)27(17)12-18(28)24-15-10-13(2)9-14(3)11-15/h5-11H,4,12H2,1-3H3,(H,24,28).
What are the key properties of N-(3,5-dimethylphenyl)-2-(5-ethyl-7-oxo-3-pyridin-2-yl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)acetamide?
N-(3,5-dimethylphenyl)-2-(5-ethyl-7-oxo-3-pyridin-2-yl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)acetamide has a molecular weight of 419.51 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-(5-ethyl-7-oxo-3-pyridin-2-yl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)acetamide is sourced from PubChem (CID 171146110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).