4-methyl-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-2-phenyl-1,3-thiazole-5-carboxamide

C23H20N4O2S — CID 90515615

IUPAC4-methyl-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)sc1C(=O)NCCn1cnc(-c2ccccc2)cc1=O
InChIInChI=1S/C23H20N4O2S/c1-16-21(30-23(26-16)18-10-6-3-7-11-18)22(29)24-12-13-27-15-25-19(14-20(27)28)17-8-4-2-5-9-17/h2-11,14-15H,12-13H2,1H3,(H,24,29)
InChIKeyYYLIVOFZKGRRHY-UHFFFAOYSA-N
MW416.51 g/mol
LogP3.77
Rot. Bonds6

About 4-methyl-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-2-phenyl-1,3-thiazole-5-carboxamide

4-methyl-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-2-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 90515615) has the molecular formula C23H20N4O2S and a molecular weight of 416.51 g/mol. Its IUPAC name is 4-methyl-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-2-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-2-phenyl-1,3-thiazole-5-carboxamide
PubChem CID90515615
Molecular FormulaC23H20N4O2S
Molecular Weight416.51 g/mol
Exact Mass416.13
IUPAC Name4-methyl-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)sc1C(=O)NCCn1cnc(-c2ccccc2)cc1=O
InChIInChI=1S/C23H20N4O2S/c1-16-21(30-23(26-16)18-10-6-3-7-11-18)22(29)24-12-13-27-15-25-19(14-20(27)28)17-8-4-2-5-9-17/h2-11,14-15H,12-13H2,1H3,(H,24,29)
InChIKeyYYLIVOFZKGRRHY-UHFFFAOYSA-N
XLogP3.77
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 ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-2-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-2-phenyl-1,3-thiazole-5-carboxamide (CID 90515615) is 4-methyl-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-2-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-2-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-2-phenyl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccccc2)sc1C(=O)NCCn1cnc(-c2ccccc2)cc1=O.
What is the InChIKey of 4-methyl-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-2-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is YYLIVOFZKGRRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2S/c1-16-21(30-23(26-16)18-10-6-3-7-11-18)22(29)24-12-13-27-15-25-19(14-20(27)28)17-8-4-2-5-9-17/h2-11,14-15H,12-13H2,1H3,(H,24,29).
What are the key properties of 4-methyl-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-2-phenyl-1,3-thiazole-5-carboxamide?
4-methyl-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-2-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 416.51 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-2-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 90515615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).