4-[(5,8-dioxo-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazin-7-yl)methyl]-N-(1-phenylethyl)benzamide

C22H23N3O3S — CID 46277163

IUPAC4-[(5,8-dioxo-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazin-7-yl)methyl]-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1ccc(CN2CC(=O)N3CSCC3C2=O)cc1)c1ccccc1
InChIInChI=1S/C22H23N3O3S/c1-15(17-5-3-2-4-6-17)23-21(27)18-9-7-16(8-10-18)11-24-12-20(26)25-14-29-13-19(25)22(24)28/h2-10,15,19H,11-14H2,1H3,(H,23,27)
InChIKeyGNEQYZPWIXOFNW-UHFFFAOYSA-N
MW409.51 g/mol
LogP2.42
Rot. Bonds5

About 4-[(5,8-dioxo-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazin-7-yl)methyl]-N-(1-phenylethyl)benzamide

4-[(5,8-dioxo-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazin-7-yl)methyl]-N-(1-phenylethyl)benzamide (PubChem CID 46277163) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is 4-[(5,8-dioxo-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazin-7-yl)methyl]-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name4-[(5,8-dioxo-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazin-7-yl)methyl]-N-(1-phenylethyl)benzamide
PubChem CID46277163
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC Name4-[(5,8-dioxo-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazin-7-yl)methyl]-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1ccc(CN2CC(=O)N3CSCC3C2=O)cc1)c1ccccc1
InChIInChI=1S/C22H23N3O3S/c1-15(17-5-3-2-4-6-17)23-21(27)18-9-7-16(8-10-18)11-24-12-20(26)25-14-29-13-19(25)22(24)28/h2-10,15,19H,11-14H2,1H3,(H,23,27)
InChIKeyGNEQYZPWIXOFNW-UHFFFAOYSA-N
XLogP2.42
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(5,8-dioxo-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazin-7-yl)methyl]-N-(1-phenylethyl)benzamide 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

4-[[(8aS)-5,8-dioxo-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazin-7-yl]methyl]-N-[(2S)-2-phenylpropyl]benzamide
CID 92722827
4-[[(8aS)-5,8-dioxo-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazin-7-yl]methyl]-N-cycloheptylbenzamide
CID 92722789
4-[(5,8-dioxo-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazin-7-yl)methyl]-N-(furan-2-ylmethyl)benzamide
CID 46277155
4-[[(8aR)-5,8-dioxo-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazin-7-yl]methyl]-N-[3-[(2R,6R)-2,6-dimethylpiperidin-1-yl]propyl]benzamide
CID 124769891
4-[[(8aR)-5,8-dioxo-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazin-7-yl]methyl]-N-[3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propyl]benzamide
CID 124769892
4-[(2,3-dioxo-4-phenylpiperazin-1-yl)methyl]-N-(1-phenylethyl)benzamide
CID 53135564
4-[(3-oxo-1,4-benzoxazin-4-yl)methyl]-N-[(1R)-1-phenylethyl]benzamide
CID 7413170
N-[(1R)-1-phenylethyl]-4-[[(2S,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]methyl]benzamide
CID 58612314
7-[(2-fluorophenyl)methyl]-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione
CID 4912130
4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-[(1S)-1-phenylethyl]benzamide
CID 21372044
4-(imidazol-1-ylmethyl)-N-(1-phenylethyl)benzamide
CID 42959098
N-[1-(4-tert-butylphenyl)ethyl]-4-(2,3-dihydroindol-1-ylmethyl)benzamide
CID 43886668

Frequently Asked Questions

What is the IUPAC name of 4-[(5,8-dioxo-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazin-7-yl)methyl]-N-(1-phenylethyl)benzamide?
The IUPAC name of 4-[(5,8-dioxo-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazin-7-yl)methyl]-N-(1-phenylethyl)benzamide (CID 46277163) is 4-[(5,8-dioxo-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazin-7-yl)methyl]-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 4-[(5,8-dioxo-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazin-7-yl)methyl]-N-(1-phenylethyl)benzamide?
The canonical SMILES for 4-[(5,8-dioxo-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazin-7-yl)methyl]-N-(1-phenylethyl)benzamide is CC(NC(=O)c1ccc(CN2CC(=O)N3CSCC3C2=O)cc1)c1ccccc1.
What is the InChIKey of 4-[(5,8-dioxo-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazin-7-yl)methyl]-N-(1-phenylethyl)benzamide?
The InChIKey is GNEQYZPWIXOFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-15(17-5-3-2-4-6-17)23-21(27)18-9-7-16(8-10-18)11-24-12-20(26)25-14-29-13-19(25)22(24)28/h2-10,15,19H,11-14H2,1H3,(H,23,27).
What are the key properties of 4-[(5,8-dioxo-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazin-7-yl)methyl]-N-(1-phenylethyl)benzamide?
4-[(5,8-dioxo-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazin-7-yl)methyl]-N-(1-phenylethyl)benzamide has a molecular weight of 409.51 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5,8-dioxo-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazin-7-yl)methyl]-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 46277163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).