N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)acetamide

C21H24N4O2S — CID 71795487

IUPACN-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)acetamide
SMILESCc1ccccc1-c1nc(C)c(CNC(=O)Cn2cnc(C(C)C)cc2=O)s1
InChIInChI=1S/C21H24N4O2S/c1-13(2)17-9-20(27)25(12-23-17)11-19(26)22-10-18-15(4)24-21(28-18)16-8-6-5-7-14(16)3/h5-9,12-13H,10-11H2,1-4H3,(H,22,26)
InChIKeyCAFKMEVEPWNYMQ-UHFFFAOYSA-N
MW396.52 g/mol
LogP3.42
Rot. Bonds6

About N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)acetamide

N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)acetamide (PubChem CID 71795487) has the molecular formula C21H24N4O2S and a molecular weight of 396.52 g/mol. Its IUPAC name is N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)acetamide
PubChem CID71795487
Molecular FormulaC21H24N4O2S
Molecular Weight396.52 g/mol
Exact Mass396.16
IUPAC NameN-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)acetamide
SMILESCc1ccccc1-c1nc(C)c(CNC(=O)Cn2cnc(C(C)C)cc2=O)s1
InChIInChI=1S/C21H24N4O2S/c1-13(2)17-9-20(27)25(12-23-17)11-19(26)22-10-18-15(4)24-21(28-18)16-8-6-5-7-14(16)3/h5-9,12-13H,10-11H2,1-4H3,(H,22,26)
InChIKeyCAFKMEVEPWNYMQ-UHFFFAOYSA-N
XLogP3.42
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)acetamide?
The IUPAC name of N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)acetamide (CID 71795487) is N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)acetamide.
What is the SMILES notation for N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)acetamide?
The canonical SMILES for N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)acetamide is Cc1ccccc1-c1nc(C)c(CNC(=O)Cn2cnc(C(C)C)cc2=O)s1.
What is the InChIKey of N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)acetamide?
The InChIKey is CAFKMEVEPWNYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2S/c1-13(2)17-9-20(27)25(12-23-17)11-19(26)22-10-18-15(4)24-21(28-18)16-8-6-5-7-14(16)3/h5-9,12-13H,10-11H2,1-4H3,(H,22,26).
What are the key properties of N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)acetamide?
N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)acetamide has a molecular weight of 396.52 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)acetamide is sourced from PubChem (CID 71795487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).