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

C21H18ClN5O2S — CID 171146108

IUPACN-(3-chloro-2-methylphenyl)-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)Nc1cccc(Cl)c1C
InChIInChI=1S/C21H18ClN5O2S/c1-3-16-25-19-18(15-8-4-5-10-23-15)26-30-20(19)21(29)27(16)11-17(28)24-14-9-6-7-13(22)12(14)2/h4-10H,3,11H2,1-2H3,(H,24,28)
InChIKeyJDFLAEVGPQXHFM-UHFFFAOYSA-N
MW439.93 g/mol
LogP4.08
Rot. Bonds5

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

N-(3-chloro-2-methylphenyl)-2-(5-ethyl-7-oxo-3-pyridin-2-yl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)acetamide (PubChem CID 171146108) has the molecular formula C21H18ClN5O2S and a molecular weight of 439.93 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-(5-ethyl-7-oxo-3-pyridin-2-yl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-(5-ethyl-7-oxo-3-pyridin-2-yl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)acetamide
PubChem CID171146108
Molecular FormulaC21H18ClN5O2S
Molecular Weight439.93 g/mol
Exact Mass439.09
IUPAC NameN-(3-chloro-2-methylphenyl)-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)Nc1cccc(Cl)c1C
InChIInChI=1S/C21H18ClN5O2S/c1-3-16-25-19-18(15-8-4-5-10-23-15)26-30-20(19)21(29)27(16)11-17(28)24-14-9-6-7-13(22)12(14)2/h4-10H,3,11H2,1-2H3,(H,24,28)
InChIKeyJDFLAEVGPQXHFM-UHFFFAOYSA-N
XLogP4.08
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.93
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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-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-(3-chlorophenyl)-2-(5-ethyl-7-oxo-3-pyridin-4-yl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)acetamide
CID 53148096
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-chloro-2-methylphenyl)-2-[3-(4-methylphenyl)-7-oxo-[1,2]thiazolo[4,5-d]pyrimidin-6-yl]acetamide
CID 50841674
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-(2-ethyl-9-fluoro-4-oxo-[1]benzothiolo[3,2-d]pyrimidin-3-yl)-N-(2-fluorophenyl)acetamide
CID 50773808
N-(3-chloro-2-methylphenyl)-2-(2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)acetamide
CID 50811413
N-(3-chloro-2-methylphenyl)-2-(4-chloro-5-methylpyrazol-1-yl)acetamide
CID 19520530
N-(3-chloro-2-methylphenyl)-2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetamide
CID 108794883
N-(3-chloro-2-methylphenyl)-2-(3,6-dimethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 53086714

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-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-chloro-2-methylphenyl)-2-(5-ethyl-7-oxo-3-pyridin-2-yl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)acetamide (CID 171146108) is N-(3-chloro-2-methylphenyl)-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-chloro-2-methylphenyl)-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-chloro-2-methylphenyl)-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)Nc1cccc(Cl)c1C.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-(5-ethyl-7-oxo-3-pyridin-2-yl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)acetamide?
The InChIKey is JDFLAEVGPQXHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN5O2S/c1-3-16-25-19-18(15-8-4-5-10-23-15)26-30-20(19)21(29)27(16)11-17(28)24-14-9-6-7-13(22)12(14)2/h4-10H,3,11H2,1-2H3,(H,24,28).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-(5-ethyl-7-oxo-3-pyridin-2-yl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)acetamide?
N-(3-chloro-2-methylphenyl)-2-(5-ethyl-7-oxo-3-pyridin-2-yl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)acetamide has a molecular weight of 439.93 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-(5-ethyl-7-oxo-3-pyridin-2-yl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)acetamide is sourced from PubChem (CID 171146108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).