N-(4-acetylphenyl)-2-(5,7-dioxo-2-piperidin-1-yl-6-prop-2-enyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide

C23H25N5O4S — CID 46391077

IUPACN-(4-acetylphenyl)-2-(5,7-dioxo-2-piperidin-1-yl-6-prop-2-enyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide
SMILESC=CCn1c(=O)c2sc(N3CCCCC3)nc2n(CC(=O)Nc2ccc(C(C)=O)cc2)c1=O
InChIInChI=1S/C23H25N5O4S/c1-3-11-27-21(31)19-20(25-22(33-19)26-12-5-4-6-13-26)28(23(27)32)14-18(30)24-17-9-7-16(8-10-17)15(2)29/h3,7-10H,1,4-6,11-14H2,2H3,(H,24,30)
InChIKeyNCJPMIYJJHDCCC-UHFFFAOYSA-N
MW467.55 g/mol
LogP2.64
Rot. Bonds7

About N-(4-acetylphenyl)-2-(5,7-dioxo-2-piperidin-1-yl-6-prop-2-enyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide

N-(4-acetylphenyl)-2-(5,7-dioxo-2-piperidin-1-yl-6-prop-2-enyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide (PubChem CID 46391077) has the molecular formula C23H25N5O4S and a molecular weight of 467.55 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(5,7-dioxo-2-piperidin-1-yl-6-prop-2-enyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-(5,7-dioxo-2-piperidin-1-yl-6-prop-2-enyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide
PubChem CID46391077
Molecular FormulaC23H25N5O4S
Molecular Weight467.55 g/mol
Exact Mass467.16
IUPAC NameN-(4-acetylphenyl)-2-(5,7-dioxo-2-piperidin-1-yl-6-prop-2-enyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide
SMILESC=CCn1c(=O)c2sc(N3CCCCC3)nc2n(CC(=O)Nc2ccc(C(C)=O)cc2)c1=O
InChIInChI=1S/C23H25N5O4S/c1-3-11-27-21(31)19-20(25-22(33-19)26-12-5-4-6-13-26)28(23(27)32)14-18(30)24-17-9-7-16(8-10-17)15(2)29/h3,7-10H,1,4-6,11-14H2,2H3,(H,24,30)
InChIKeyNCJPMIYJJHDCCC-UHFFFAOYSA-N
XLogP2.64
TPSA106.30 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.55
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(5,7-dioxo-2-piperidin-1-yl-6-prop-2-enyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 50833609
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
N-(4-ethoxyphenyl)-2-(6-ethyl-5,7-dioxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide
CID 50833505
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(5,7-dioxo-2-piperidin-1-yl-6-prop-2-enyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide
CID 92726920
N-(4-acetylphenyl)-2-(7-oxo-2-piperidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide
CID 51369169
N-(3,5-difluorophenyl)-2-(5,7-dioxo-2-piperidin-1-yl-6-propyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide
CID 50833077
N-(3-chloro-4-fluorophenyl)-2-(5,7-dioxo-2-piperidin-1-yl-6-propyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide
CID 50833155
N-(3,5-dimethylphenyl)-2-(5,7-dioxo-6-propyl-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide
CID 46390994
N-(3-chlorophenyl)-2-(6-ethyl-5,7-dioxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide
CID 46390954
N-(3-acetylphenyl)-2-[(7-oxo-2-piperidin-1-yl-6-prop-2-enyl-[1,3]thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl]acetamide
CID 53205973
N-(2,5-difluorophenyl)-2-(5,7-dioxo-2-piperidin-1-yl-6-propyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide
CID 50833476

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(5,7-dioxo-2-piperidin-1-yl-6-prop-2-enyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide?
The IUPAC name of N-(4-acetylphenyl)-2-(5,7-dioxo-2-piperidin-1-yl-6-prop-2-enyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide (CID 46391077) is N-(4-acetylphenyl)-2-(5,7-dioxo-2-piperidin-1-yl-6-prop-2-enyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-(5,7-dioxo-2-piperidin-1-yl-6-prop-2-enyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-(5,7-dioxo-2-piperidin-1-yl-6-prop-2-enyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide is C=CCn1c(=O)c2sc(N3CCCCC3)nc2n(CC(=O)Nc2ccc(C(C)=O)cc2)c1=O.
What is the InChIKey of N-(4-acetylphenyl)-2-(5,7-dioxo-2-piperidin-1-yl-6-prop-2-enyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide?
The InChIKey is NCJPMIYJJHDCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O4S/c1-3-11-27-21(31)19-20(25-22(33-19)26-12-5-4-6-13-26)28(23(27)32)14-18(30)24-17-9-7-16(8-10-17)15(2)29/h3,7-10H,1,4-6,11-14H2,2H3,(H,24,30).
What are the key properties of N-(4-acetylphenyl)-2-(5,7-dioxo-2-piperidin-1-yl-6-prop-2-enyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide?
N-(4-acetylphenyl)-2-(5,7-dioxo-2-piperidin-1-yl-6-prop-2-enyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide has a molecular weight of 467.55 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-(5,7-dioxo-2-piperidin-1-yl-6-prop-2-enyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide is sourced from PubChem (CID 46391077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).