2-(4-pyridin-4-ylphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide

C21H16N4OS — CID 46927587

IUPAC2-(4-pyridin-4-ylphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide
SMILESO=C(Cc1ccc(-c2ccncc2)cc1)Nc1nc(-c2ccncc2)cs1
InChIInChI=1S/C21H16N4OS/c26-20(25-21-24-19(14-27-21)18-7-11-23-12-8-18)13-15-1-3-16(4-2-15)17-5-9-22-10-6-17/h1-12,14H,13H2,(H,24,25,26)
InChIKeyZHKJPDVAWKEBOW-UHFFFAOYSA-N
MW372.45 g/mol
LogP4.45
Rot. Bonds5

About 2-(4-pyridin-4-ylphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide

2-(4-pyridin-4-ylphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide (PubChem CID 46927587) has the molecular formula C21H16N4OS and a molecular weight of 372.45 g/mol. Its IUPAC name is 2-(4-pyridin-4-ylphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-pyridin-4-ylphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide
PubChem CID46927587
Molecular FormulaC21H16N4OS
Molecular Weight372.45 g/mol
Exact Mass372.10
IUPAC Name2-(4-pyridin-4-ylphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide
SMILESO=C(Cc1ccc(-c2ccncc2)cc1)Nc1nc(-c2ccncc2)cs1
InChIInChI=1S/C21H16N4OS/c26-20(25-21-24-19(14-27-21)18-7-11-23-12-8-18)13-15-1-3-16(4-2-15)17-5-9-22-10-6-17/h1-12,14H,13H2,(H,24,25,26)
InChIKeyZHKJPDVAWKEBOW-UHFFFAOYSA-N
XLogP4.45
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-pyridin-4-ylphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(4-pyridin-4-ylphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide (CID 46927587) is 2-(4-pyridin-4-ylphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-pyridin-4-ylphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-pyridin-4-ylphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide is O=C(Cc1ccc(-c2ccncc2)cc1)Nc1nc(-c2ccncc2)cs1.
What is the InChIKey of 2-(4-pyridin-4-ylphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide?
The InChIKey is ZHKJPDVAWKEBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4OS/c26-20(25-21-24-19(14-27-21)18-7-11-23-12-8-18)13-15-1-3-16(4-2-15)17-5-9-22-10-6-17/h1-12,14H,13H2,(H,24,25,26).
What are the key properties of 2-(4-pyridin-4-ylphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide?
2-(4-pyridin-4-ylphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide has a molecular weight of 372.45 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyridin-4-ylphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 46927587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).