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

C21H16N4O3S — CID 46396597

IUPACN-(4-acetylphenyl)-2-(7-oxo-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)acetamide
SMILESCC(=O)c1ccc(NC(=O)Cn2cnc3c(-c4ccccc4)nsc3c2=O)cc1
InChIInChI=1S/C21H16N4O3S/c1-13(26)14-7-9-16(10-8-14)23-17(27)11-25-12-22-19-18(15-5-3-2-4-6-15)24-29-20(19)21(25)28/h2-10,12H,11H2,1H3,(H,23,27)
InChIKeyLDYLDGWENIYFCS-UHFFFAOYSA-N
MW404.45 g/mol
LogP3.36
Rot. Bonds5

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

N-(4-acetylphenyl)-2-(7-oxo-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)acetamide (PubChem CID 46396597) has the molecular formula C21H16N4O3S and a molecular weight of 404.45 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(7-oxo-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-(7-oxo-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)acetamide
PubChem CID46396597
Molecular FormulaC21H16N4O3S
Molecular Weight404.45 g/mol
Exact Mass404.09
IUPAC NameN-(4-acetylphenyl)-2-(7-oxo-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)acetamide
SMILESCC(=O)c1ccc(NC(=O)Cn2cnc3c(-c4ccccc4)nsc3c2=O)cc1
InChIInChI=1S/C21H16N4O3S/c1-13(26)14-7-9-16(10-8-14)23-17(27)11-25-12-22-19-18(15-5-3-2-4-6-15)24-29-20(19)21(25)28/h2-10,12H,11H2,1H3,(H,23,27)
InChIKeyLDYLDGWENIYFCS-UHFFFAOYSA-N
XLogP3.36
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-fluorophenyl)-2-[3-(4-fluorophenyl)-7-oxo-[1,2]thiazolo[4,5-d]pyrimidin-6-yl]acetamide
CID 50841527
N-(2-methylphenyl)-2-(7-oxo-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)acetamide
CID 50841644
N-(3-chlorophenyl)-2-(7-oxo-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)acetamide
CID 50841692
methyl 4-[[2-[3-(3-methylphenyl)-7-oxo-[1,2]thiazolo[4,5-d]pyrimidin-6-yl]acetyl]amino]benzoate
CID 50841796
N-(5-chloro-2-methylphenyl)-2-(7-oxo-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)acetamide
CID 50841671
N-(2,6-dimethylphenyl)-2-[3-(4-methylphenyl)-7-oxo-[1,2]thiazolo[4,5-d]pyrimidin-6-yl]acetamide
CID 50841673
N-(2,5-dimethoxyphenyl)-2-(7-oxo-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)acetamide
CID 50841617
2-(7-oxo-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 50841429
N-(2-fluorophenyl)-2-[3-(4-methylphenyl)-7-oxo-[1,2]thiazolo[4,5-d]pyrimidin-6-yl]acetamide
CID 50841598
2-[3-(4-methylphenyl)-7-oxo-[1,2]thiazolo[4,5-d]pyrimidin-6-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 46396599
N-(3-chloro-2-methylphenyl)-2-[3-(4-methylphenyl)-7-oxo-[1,2]thiazolo[4,5-d]pyrimidin-6-yl]acetamide
CID 50841674
N-(4-acetylphenyl)-2-(7-oxo-3-phenyltriazolo[4,5-d]pyrimidin-6-yl)acetamide
CID 7111137

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(7-oxo-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)acetamide?
The IUPAC name of N-(4-acetylphenyl)-2-(7-oxo-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)acetamide (CID 46396597) is N-(4-acetylphenyl)-2-(7-oxo-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-(7-oxo-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)acetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-(7-oxo-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)acetamide is CC(=O)c1ccc(NC(=O)Cn2cnc3c(-c4ccccc4)nsc3c2=O)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-(7-oxo-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)acetamide?
The InChIKey is LDYLDGWENIYFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O3S/c1-13(26)14-7-9-16(10-8-14)23-17(27)11-25-12-22-19-18(15-5-3-2-4-6-15)24-29-20(19)21(25)28/h2-10,12H,11H2,1H3,(H,23,27).
What are the key properties of N-(4-acetylphenyl)-2-(7-oxo-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)acetamide?
N-(4-acetylphenyl)-2-(7-oxo-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)acetamide has a molecular weight of 404.45 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-(7-oxo-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)acetamide is sourced from PubChem (CID 46396597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).