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

C22H18N4OS — CID 46927655

IUPAC2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESCc1cc(-c2ccc(CC(=O)Nc3nc(-c4ccccc4)cs3)cn2)ccn1
InChIInChI=1S/C22H18N4OS/c1-15-11-18(9-10-23-15)19-8-7-16(13-24-19)12-21(27)26-22-25-20(14-28-22)17-5-3-2-4-6-17/h2-11,13-14H,12H2,1H3,(H,25,26,27)
InChIKeyXKZTVJSWXRJJKB-UHFFFAOYSA-N
MW386.48 g/mol
LogP4.76
Rot. Bonds5

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

2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide (PubChem CID 46927655) has the molecular formula C22H18N4OS and a molecular weight of 386.48 g/mol. Its IUPAC name is 2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
PubChem CID46927655
Molecular FormulaC22H18N4OS
Molecular Weight386.48 g/mol
Exact Mass386.12
IUPAC Name2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESCc1cc(-c2ccc(CC(=O)Nc3nc(-c4ccccc4)cs3)cn2)ccn1
InChIInChI=1S/C22H18N4OS/c1-15-11-18(9-10-23-15)19-8-7-16(13-24-19)12-21(27)26-22-25-20(14-28-22)17-5-3-2-4-6-17/h2-11,13-14H,12H2,1H3,(H,25,26,27)
InChIKeyXKZTVJSWXRJJKB-UHFFFAOYSA-N
XLogP4.76
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide (CID 46927655) is 2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide is Cc1cc(-c2ccc(CC(=O)Nc3nc(-c4ccccc4)cs3)cn2)ccn1.
What is the InChIKey of 2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is XKZTVJSWXRJJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4OS/c1-15-11-18(9-10-23-15)19-8-7-16(13-24-19)12-21(27)26-22-25-20(14-28-22)17-5-3-2-4-6-17/h2-11,13-14H,12H2,1H3,(H,25,26,27).
What are the key properties of 2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 386.48 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 46927655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).