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

C22H16Cl2N4O3S — CID 16565934

IUPAC2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1
InChIInChI=1S/C22H16Cl2N4O3S/c23-15-6-7-16(17(24)10-15)18-13-32-21(25-18)26-19(29)12-28-20(30)8-9-27(22(28)31)11-14-4-2-1-3-5-14/h1-10,13H,11-12H2,(H,25,26,29)
InChIKeyNKHUOFAXZGHHJY-UHFFFAOYSA-N
MW487.37 g/mol
LogP4.13
Rot. Bonds6

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

2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 16565934) has the molecular formula C22H16Cl2N4O3S and a molecular weight of 487.37 g/mol. Its IUPAC name is 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID16565934
Molecular FormulaC22H16Cl2N4O3S
Molecular Weight487.37 g/mol
Exact Mass486.03
IUPAC Name2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1
InChIInChI=1S/C22H16Cl2N4O3S/c23-15-6-7-16(17(24)10-15)18-13-32-21(25-18)26-19(29)12-28-20(30)8-9-27(22(28)31)11-14-4-2-1-3-5-14/h1-10,13H,11-12H2,(H,25,26,29)
InChIKeyNKHUOFAXZGHHJY-UHFFFAOYSA-N
XLogP4.13
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.37
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-chlorophenyl)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 1290422
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]acetamide
CID 112841601
2-(3-chlorophenyl)sulfanyl-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 5152633
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(2,4,5-trichlorophenyl)sulfanylacetamide
CID 3822119
3-(4-chlorophenyl)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide
CID 19220952
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(2-fluoro-5-methylphenyl)acetamide
CID 17497149
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(3,5-dimethylpiperidin-1-yl)acetamide
CID 22197983
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 22198434
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
CID 16911472
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 22199040
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-yloxyacetamide
CID 4199066
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(4-bromophenyl)acetamide
CID 9138324

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide (CID 16565934) is 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide is O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1.
What is the InChIKey of 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is NKHUOFAXZGHHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl2N4O3S/c23-15-6-7-16(17(24)10-15)18-13-32-21(25-18)26-19(29)12-28-20(30)8-9-27(22(28)31)11-14-4-2-1-3-5-14/h1-10,13H,11-12H2,(H,25,26,29).
What are the key properties of 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide?
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 487.37 g/mol, XLogP of 4.13, 6 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-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 16565934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).