2-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide

C20H18N6O2S — CID 71799666

IUPAC2-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
SMILESCc1nc(OCC(=O)Nc2cccc(-c3csc(C)n3)c2)cc(-n2cccn2)n1
InChIInChI=1S/C20H18N6O2S/c1-13-22-18(26-8-4-7-21-26)10-20(23-13)28-11-19(27)25-16-6-3-5-15(9-16)17-12-29-14(2)24-17/h3-10,12H,11H2,1-2H3,(H,25,27)
InChIKeyDAANPGLQXPWNGX-UHFFFAOYSA-N
MW406.47 g/mol
LogP3.42
Rot. Bonds6

About 2-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide

2-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide (PubChem CID 71799666) has the molecular formula C20H18N6O2S and a molecular weight of 406.47 g/mol. Its IUPAC name is 2-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
PubChem CID71799666
Molecular FormulaC20H18N6O2S
Molecular Weight406.47 g/mol
Exact Mass406.12
IUPAC Name2-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
SMILESCc1nc(OCC(=O)Nc2cccc(-c3csc(C)n3)c2)cc(-n2cccn2)n1
InChIInChI=1S/C20H18N6O2S/c1-13-22-18(26-8-4-7-21-26)10-20(23-13)28-11-19(27)25-16-6-3-5-15(9-16)17-12-29-14(2)24-17/h3-10,12H,11H2,1-2H3,(H,25,27)
InChIKeyDAANPGLQXPWNGX-UHFFFAOYSA-N
XLogP3.42
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.47
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide?
The IUPAC name of 2-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide (CID 71799666) is 2-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide.
What is the SMILES notation for 2-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide?
The canonical SMILES for 2-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide is Cc1nc(OCC(=O)Nc2cccc(-c3csc(C)n3)c2)cc(-n2cccn2)n1.
What is the InChIKey of 2-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide?
The InChIKey is DAANPGLQXPWNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O2S/c1-13-22-18(26-8-4-7-21-26)10-20(23-13)28-11-19(27)25-16-6-3-5-15(9-16)17-12-29-14(2)24-17/h3-10,12H,11H2,1-2H3,(H,25,27).
What are the key properties of 2-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide?
2-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide has a molecular weight of 406.47 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide is sourced from PubChem (CID 71799666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).