2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]acetamide

C23H20N4O3S — CID 112841601

IUPAC2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]acetamide
SMILESO=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)NCc1nc(-c2ccccc2)cs1
InChIInChI=1S/C23H20N4O3S/c28-20(24-13-21-25-19(16-31-21)18-9-5-2-6-10-18)15-27-22(29)11-12-26(23(27)30)14-17-7-3-1-4-8-17/h1-12,16H,13-15H2,(H,24,28)
InChIKeyFVEOXPDTAQJSEI-UHFFFAOYSA-N
MW432.51 g/mol
LogP2.50
Rot. Bonds7

About 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]acetamide

2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]acetamide (PubChem CID 112841601) has the molecular formula C23H20N4O3S and a molecular weight of 432.51 g/mol. Its IUPAC name is 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]acetamide
PubChem CID112841601
Molecular FormulaC23H20N4O3S
Molecular Weight432.51 g/mol
Exact Mass432.13
IUPAC Name2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]acetamide
SMILESO=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)NCc1nc(-c2ccccc2)cs1
InChIInChI=1S/C23H20N4O3S/c28-20(24-13-21-25-19(16-31-21)18-9-5-2-6-10-18)15-27-22(29)11-12-26(23(27)30)14-17-7-3-1-4-8-17/h1-12,16H,13-15H2,(H,24,28)
InChIKeyFVEOXPDTAQJSEI-UHFFFAOYSA-N
XLogP2.50
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.51
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(3-phenylpropyl)acetamide
CID 29353373
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-prop-2-enylacetamide
CID 9207698
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 16565934
2-(4-methyl-1-oxophthalazin-2-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]acetamide
CID 55841798
3-[[[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]amino]methyl]-N-ethylbenzamide
CID 112827568
2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]acetamide
CID 29000911
3-phenyl-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]propanamide
CID 110318189
N-benzyl-2-[2-(4-phenyl-1,3-thiazol-2-yl)pyrrol-1-yl]acetamide
CID 50837140
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[2-(N-methylanilino)propyl]acetamide
CID 112826982
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(4-bromophenyl)acetamide
CID 9138324
(2S)-2-[[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]amino]-N-ethylpropanamide
CID 9470737
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(1-naphthalen-2-ylethyl)acetamide
CID 112795849

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]acetamide?
The IUPAC name of 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]acetamide (CID 112841601) is 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]acetamide is O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)NCc1nc(-c2ccccc2)cs1.
What is the InChIKey of 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]acetamide?
The InChIKey is FVEOXPDTAQJSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3S/c28-20(24-13-21-25-19(16-31-21)18-9-5-2-6-10-18)15-27-22(29)11-12-26(23(27)30)14-17-7-3-1-4-8-17/h1-12,16H,13-15H2,(H,24,28).
What are the key properties of 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]acetamide?
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]acetamide has a molecular weight of 432.51 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]acetamide is sourced from PubChem (CID 112841601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).