N-(2-ethylphenyl)-2-[6-oxo-5-(4-phenyl-1,3-thiazol-2-yl)pyrimidin-1-yl]acetamide

C23H20N4O2S — CID 53168605

IUPACN-(2-ethylphenyl)-2-[6-oxo-5-(4-phenyl-1,3-thiazol-2-yl)pyrimidin-1-yl]acetamide
SMILESCCc1ccccc1NC(=O)Cn1cncc(-c2nc(-c3ccccc3)cs2)c1=O
InChIInChI=1S/C23H20N4O2S/c1-2-16-8-6-7-11-19(16)25-21(28)13-27-15-24-12-18(23(27)29)22-26-20(14-30-22)17-9-4-3-5-10-17/h3-12,14-15H,2,13H2,1H3,(H,25,28)
InChIKeyLVYYVSLDYNZUIK-UHFFFAOYSA-N
MW416.51 g/mol
LogP4.23
Rot. Bonds6

About N-(2-ethylphenyl)-2-[6-oxo-5-(4-phenyl-1,3-thiazol-2-yl)pyrimidin-1-yl]acetamide

N-(2-ethylphenyl)-2-[6-oxo-5-(4-phenyl-1,3-thiazol-2-yl)pyrimidin-1-yl]acetamide (PubChem CID 53168605) has the molecular formula C23H20N4O2S and a molecular weight of 416.51 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-[6-oxo-5-(4-phenyl-1,3-thiazol-2-yl)pyrimidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-[6-oxo-5-(4-phenyl-1,3-thiazol-2-yl)pyrimidin-1-yl]acetamide
PubChem CID53168605
Molecular FormulaC23H20N4O2S
Molecular Weight416.51 g/mol
Exact Mass416.13
IUPAC NameN-(2-ethylphenyl)-2-[6-oxo-5-(4-phenyl-1,3-thiazol-2-yl)pyrimidin-1-yl]acetamide
SMILESCCc1ccccc1NC(=O)Cn1cncc(-c2nc(-c3ccccc3)cs2)c1=O
InChIInChI=1S/C23H20N4O2S/c1-2-16-8-6-7-11-19(16)25-21(28)13-27-15-24-12-18(23(27)29)22-26-20(14-30-22)17-9-4-3-5-10-17/h3-12,14-15H,2,13H2,1H3,(H,25,28)
InChIKeyLVYYVSLDYNZUIK-UHFFFAOYSA-N
XLogP4.23
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.51
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-[6-oxo-5-(4-phenyl-1,3-thiazol-2-yl)pyrimidin-1-yl]acetamide
CID 53168620
N-(2-ethylphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 3543552
N-(2,4-dimethylphenyl)-2-[6-oxo-5-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrimidin-1-yl]acetamide
CID 53168636
N-(2-ethylphenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
CID 121052659
N-(2,6-diethylphenyl)-2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 7674366
2-(6-oxo-5-phenylpyrimidin-1-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 166429061
N-(2-ethylphenyl)-2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2-yl]acetamide
CID 53048341
N-(2-ethylphenyl)-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetamide
CID 75526974
N-(2-aminophenyl)-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide
CID 66308829
N-(2-methylphenyl)-2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 1404117
N-(2-ethylphenyl)-2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
CID 40861484
N-(2-ethylphenyl)-2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 23409185

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-[6-oxo-5-(4-phenyl-1,3-thiazol-2-yl)pyrimidin-1-yl]acetamide?
The IUPAC name of N-(2-ethylphenyl)-2-[6-oxo-5-(4-phenyl-1,3-thiazol-2-yl)pyrimidin-1-yl]acetamide (CID 53168605) is N-(2-ethylphenyl)-2-[6-oxo-5-(4-phenyl-1,3-thiazol-2-yl)pyrimidin-1-yl]acetamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-[6-oxo-5-(4-phenyl-1,3-thiazol-2-yl)pyrimidin-1-yl]acetamide?
The canonical SMILES for N-(2-ethylphenyl)-2-[6-oxo-5-(4-phenyl-1,3-thiazol-2-yl)pyrimidin-1-yl]acetamide is CCc1ccccc1NC(=O)Cn1cncc(-c2nc(-c3ccccc3)cs2)c1=O.
What is the InChIKey of N-(2-ethylphenyl)-2-[6-oxo-5-(4-phenyl-1,3-thiazol-2-yl)pyrimidin-1-yl]acetamide?
The InChIKey is LVYYVSLDYNZUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2S/c1-2-16-8-6-7-11-19(16)25-21(28)13-27-15-24-12-18(23(27)29)22-26-20(14-30-22)17-9-4-3-5-10-17/h3-12,14-15H,2,13H2,1H3,(H,25,28).
What are the key properties of N-(2-ethylphenyl)-2-[6-oxo-5-(4-phenyl-1,3-thiazol-2-yl)pyrimidin-1-yl]acetamide?
N-(2-ethylphenyl)-2-[6-oxo-5-(4-phenyl-1,3-thiazol-2-yl)pyrimidin-1-yl]acetamide has a molecular weight of 416.51 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-[6-oxo-5-(4-phenyl-1,3-thiazol-2-yl)pyrimidin-1-yl]acetamide is sourced from PubChem (CID 53168605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).