N-(2,4-dimethylphenyl)-2-[6-(2-methoxyphenyl)-2-methylsulfanyl-5,7-dioxo-[1,3]thiazolo[4,5-d]pyrimidin-4-yl]acetamide

C23H22N4O4S2 — CID 53128722

IUPACN-(2,4-dimethylphenyl)-2-[6-(2-methoxyphenyl)-2-methylsulfanyl-5,7-dioxo-[1,3]thiazolo[4,5-d]pyrimidin-4-yl]acetamide
SMILESCOc1ccccc1-n1c(=O)c2sc(SC)nc2n(CC(=O)Nc2ccc(C)cc2C)c1=O
InChIInChI=1S/C23H22N4O4S2/c1-13-9-10-15(14(2)11-13)24-18(28)12-26-20-19(33-22(25-20)32-4)21(29)27(23(26)30)16-7-5-6-8-17(16)31-3/h5-11H,12H2,1-4H3,(H,24,28)
InChIKeyOBQLQDNPBMKHKO-UHFFFAOYSA-N
MW482.59 g/mol
LogP3.59
Rot. Bonds6

About N-(2,4-dimethylphenyl)-2-[6-(2-methoxyphenyl)-2-methylsulfanyl-5,7-dioxo-[1,3]thiazolo[4,5-d]pyrimidin-4-yl]acetamide

N-(2,4-dimethylphenyl)-2-[6-(2-methoxyphenyl)-2-methylsulfanyl-5,7-dioxo-[1,3]thiazolo[4,5-d]pyrimidin-4-yl]acetamide (PubChem CID 53128722) has the molecular formula C23H22N4O4S2 and a molecular weight of 482.59 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-[6-(2-methoxyphenyl)-2-methylsulfanyl-5,7-dioxo-[1,3]thiazolo[4,5-d]pyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-[6-(2-methoxyphenyl)-2-methylsulfanyl-5,7-dioxo-[1,3]thiazolo[4,5-d]pyrimidin-4-yl]acetamide
PubChem CID53128722
Molecular FormulaC23H22N4O4S2
Molecular Weight482.59 g/mol
Exact Mass482.11
IUPAC NameN-(2,4-dimethylphenyl)-2-[6-(2-methoxyphenyl)-2-methylsulfanyl-5,7-dioxo-[1,3]thiazolo[4,5-d]pyrimidin-4-yl]acetamide
SMILESCOc1ccccc1-n1c(=O)c2sc(SC)nc2n(CC(=O)Nc2ccc(C)cc2C)c1=O
InChIInChI=1S/C23H22N4O4S2/c1-13-9-10-15(14(2)11-13)24-18(28)12-26-20-19(33-22(25-20)32-4)21(29)27(23(26)30)16-7-5-6-8-17(16)31-3/h5-11H,12H2,1-4H3,(H,24,28)
InChIKeyOBQLQDNPBMKHKO-UHFFFAOYSA-N
XLogP3.59
TPSA95.22 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.59
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-(2,4-dimethylphenyl)-2-[6-(2-methoxyphenyl)-2-methylsulfanyl-5,7-dioxo-[1,3]thiazolo[4,5-d]pyrimidin-4-yl]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-methoxyphenyl)-2-[6-(4-methylphenyl)-2-methylsulfanyl-5,7-dioxo-[1,3]thiazolo[4,5-d]pyrimidin-4-yl]acetamide
CID 53128635
N-benzyl-2-[6-(2-methoxyphenyl)-2-methylsulfanyl-5,7-dioxo-[1,3]thiazolo[4,5-d]pyrimidin-4-yl]acetamide
CID 53128740
methyl 2-[[2-[6-(4-methylphenyl)-2-methylsulfanyl-5,7-dioxo-[1,3]thiazolo[4,5-d]pyrimidin-4-yl]acetyl]amino]benzoate
CID 53128615
N-(3-chloro-4-methylphenyl)-2-[6-(4-methylphenyl)-2-methylsulfanyl-5,7-dioxo-[1,3]thiazolo[4,5-d]pyrimidin-4-yl]acetamide
CID 53128633
2-(2-methylsulfanyl-5,7-dioxo-6-phenyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)-N-(3-methylsulfanylphenyl)acetamide
CID 53128553
N-(2,4-difluorophenyl)-2-[1-(2-methoxyphenyl)-5,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]acetamide
CID 17250614
2-[6-(4-ethylphenyl)-2-methylsulfanyl-5,7-dioxo-[1,3]thiazolo[4,5-d]pyrimidin-4-yl]-N-(4-methoxyphenyl)acetamide
CID 53128686
6-(2-methoxyphenyl)-2-methylsulfanyl-4H-[1,3]thiazolo[4,5-d]pyrimidine-5,7-dione
CID 106523205
N-(2,4-dimethylphenyl)-2-[4-oxo-2-(3,4,5-trimethoxyphenyl)quinazolin-3-yl]acetamide
CID 15996905
N-(2-ethoxyphenyl)-2-[1-(2-methoxyphenyl)-5,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]acetamide
CID 17250713
2-[7-chloro-3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2,4-dimethylphenyl)acetamide
CID 30929284
N-(4-chloro-2-fluorophenyl)-2-(2-ethylsulfanyl-5,7-dioxo-6-phenyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide
CID 53128809

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-[6-(2-methoxyphenyl)-2-methylsulfanyl-5,7-dioxo-[1,3]thiazolo[4,5-d]pyrimidin-4-yl]acetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-[6-(2-methoxyphenyl)-2-methylsulfanyl-5,7-dioxo-[1,3]thiazolo[4,5-d]pyrimidin-4-yl]acetamide (CID 53128722) is N-(2,4-dimethylphenyl)-2-[6-(2-methoxyphenyl)-2-methylsulfanyl-5,7-dioxo-[1,3]thiazolo[4,5-d]pyrimidin-4-yl]acetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-[6-(2-methoxyphenyl)-2-methylsulfanyl-5,7-dioxo-[1,3]thiazolo[4,5-d]pyrimidin-4-yl]acetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-[6-(2-methoxyphenyl)-2-methylsulfanyl-5,7-dioxo-[1,3]thiazolo[4,5-d]pyrimidin-4-yl]acetamide is COc1ccccc1-n1c(=O)c2sc(SC)nc2n(CC(=O)Nc2ccc(C)cc2C)c1=O.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-[6-(2-methoxyphenyl)-2-methylsulfanyl-5,7-dioxo-[1,3]thiazolo[4,5-d]pyrimidin-4-yl]acetamide?
The InChIKey is OBQLQDNPBMKHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4S2/c1-13-9-10-15(14(2)11-13)24-18(28)12-26-20-19(33-22(25-20)32-4)21(29)27(23(26)30)16-7-5-6-8-17(16)31-3/h5-11H,12H2,1-4H3,(H,24,28).
What are the key properties of N-(2,4-dimethylphenyl)-2-[6-(2-methoxyphenyl)-2-methylsulfanyl-5,7-dioxo-[1,3]thiazolo[4,5-d]pyrimidin-4-yl]acetamide?
N-(2,4-dimethylphenyl)-2-[6-(2-methoxyphenyl)-2-methylsulfanyl-5,7-dioxo-[1,3]thiazolo[4,5-d]pyrimidin-4-yl]acetamide has a molecular weight of 482.59 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-[6-(2-methoxyphenyl)-2-methylsulfanyl-5,7-dioxo-[1,3]thiazolo[4,5-d]pyrimidin-4-yl]acetamide is sourced from PubChem (CID 53128722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).