2-(5,7-dioxo-2-piperidin-1-yl-6-propan-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)-N-(2-methoxy-5-methylphenyl)acetamide

C23H29N5O4S — CID 50833615

IUPAC2-(5,7-dioxo-2-piperidin-1-yl-6-propan-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)Cn1c(=O)n(C(C)C)c(=O)c2sc(N3CCCCC3)nc21
InChIInChI=1S/C23H29N5O4S/c1-14(2)28-21(30)19-20(25-22(33-19)26-10-6-5-7-11-26)27(23(28)31)13-18(29)24-16-12-15(3)8-9-17(16)32-4/h8-9,12,14H,5-7,10-11,13H2,1-4H3,(H,24,29)
InChIKeyOXXUNKVNKXUJAN-UHFFFAOYSA-N
MW471.58 g/mol
LogP3.15
Rot. Bonds6

About 2-(5,7-dioxo-2-piperidin-1-yl-6-propan-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)-N-(2-methoxy-5-methylphenyl)acetamide

2-(5,7-dioxo-2-piperidin-1-yl-6-propan-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)-N-(2-methoxy-5-methylphenyl)acetamide (PubChem CID 50833615) has the molecular formula C23H29N5O4S and a molecular weight of 471.58 g/mol. Its IUPAC name is 2-(5,7-dioxo-2-piperidin-1-yl-6-propan-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)-N-(2-methoxy-5-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(5,7-dioxo-2-piperidin-1-yl-6-propan-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)-N-(2-methoxy-5-methylphenyl)acetamide
PubChem CID50833615
Molecular FormulaC23H29N5O4S
Molecular Weight471.58 g/mol
Exact Mass471.19
IUPAC Name2-(5,7-dioxo-2-piperidin-1-yl-6-propan-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)Cn1c(=O)n(C(C)C)c(=O)c2sc(N3CCCCC3)nc21
InChIInChI=1S/C23H29N5O4S/c1-14(2)28-21(30)19-20(25-22(33-19)26-10-6-5-7-11-26)27(23(28)31)13-18(29)24-16-12-15(3)8-9-17(16)32-4/h8-9,12,14H,5-7,10-11,13H2,1-4H3,(H,24,29)
InChIKeyOXXUNKVNKXUJAN-UHFFFAOYSA-N
XLogP3.15
TPSA98.46 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.58
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-(5,7-dioxo-2-piperidin-1-yl-6-propan-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)-N-(2-methoxy-5-methylphenyl)acetamide with MolForge

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Related Compounds

N-(2-chlorophenyl)-2-(5,7-dioxo-2-piperidin-1-yl-6-propan-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide
CID 50833493
2-(5,7-dioxo-2-piperidin-1-yl-6-propan-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)-N-(3-methoxyphenyl)acetamide
CID 50833718
N-(2-methoxy-5-methylphenyl)-2-(7-oxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide
CID 50785077
N-(2-methylphenyl)-2-[2-(4-methylpiperidin-1-yl)-5,7-dioxo-6-propan-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl]acetamide
CID 50833061
N-(2-methoxy-5-methylphenyl)-2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]acetamide
CID 16811043
2-(azocan-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 4800986
N-(2-methoxy-5-methylphenyl)-2-(3-oxo-7-piperidin-1-yl-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl)acetamide
CID 171323344
N-(3,4-difluorophenyl)-2-[2-(4-methylpiperidin-1-yl)-5,7-dioxo-6-propan-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl]acetamide
CID 46391119
2-(5,7-dioxo-6-propyl-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)-N-(2-ethoxyphenyl)acetamide
CID 46391047
methyl 4-[[2-(5,7-dioxo-2-piperidin-1-yl-6-propyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetyl]amino]benzoate
CID 50833686
2-(6-ethyl-5,7-dioxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)-N-phenylacetamide
CID 46390951
2-[1,7-dimethyl-2,4-dioxo-5-(piperidine-1-carbonyl)pyrido[2,3-d]pyrimidin-3-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 25287373

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dioxo-2-piperidin-1-yl-6-propan-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)-N-(2-methoxy-5-methylphenyl)acetamide?
The IUPAC name of 2-(5,7-dioxo-2-piperidin-1-yl-6-propan-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)-N-(2-methoxy-5-methylphenyl)acetamide (CID 50833615) is 2-(5,7-dioxo-2-piperidin-1-yl-6-propan-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)-N-(2-methoxy-5-methylphenyl)acetamide.
What is the SMILES notation for 2-(5,7-dioxo-2-piperidin-1-yl-6-propan-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)-N-(2-methoxy-5-methylphenyl)acetamide?
The canonical SMILES for 2-(5,7-dioxo-2-piperidin-1-yl-6-propan-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)-N-(2-methoxy-5-methylphenyl)acetamide is COc1ccc(C)cc1NC(=O)Cn1c(=O)n(C(C)C)c(=O)c2sc(N3CCCCC3)nc21.
What is the InChIKey of 2-(5,7-dioxo-2-piperidin-1-yl-6-propan-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)-N-(2-methoxy-5-methylphenyl)acetamide?
The InChIKey is OXXUNKVNKXUJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O4S/c1-14(2)28-21(30)19-20(25-22(33-19)26-10-6-5-7-11-26)27(23(28)31)13-18(29)24-16-12-15(3)8-9-17(16)32-4/h8-9,12,14H,5-7,10-11,13H2,1-4H3,(H,24,29).
What are the key properties of 2-(5,7-dioxo-2-piperidin-1-yl-6-propan-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)-N-(2-methoxy-5-methylphenyl)acetamide?
2-(5,7-dioxo-2-piperidin-1-yl-6-propan-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)-N-(2-methoxy-5-methylphenyl)acetamide has a molecular weight of 471.58 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dioxo-2-piperidin-1-yl-6-propan-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)-N-(2-methoxy-5-methylphenyl)acetamide is sourced from PubChem (CID 50833615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).