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

C22H17N3OS — CID 58447763

IUPACN-(4-phenyl-1,3-thiazol-2-yl)-2-(4-pyridin-4-ylphenyl)acetamide
SMILESO=C(Cc1ccc(-c2ccncc2)cc1)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C22H17N3OS/c26-21(25-22-24-20(15-27-22)19-4-2-1-3-5-19)14-16-6-8-17(9-7-16)18-10-12-23-13-11-18/h1-13,15H,14H2,(H,24,25,26)
InChIKeyYLXBWBPZHOOGOX-UHFFFAOYSA-N
MW371.47 g/mol
LogP5.05
Rot. Bonds5

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

N-(4-phenyl-1,3-thiazol-2-yl)-2-(4-pyridin-4-ylphenyl)acetamide (PubChem CID 58447763) has the molecular formula C22H17N3OS and a molecular weight of 371.47 g/mol. Its IUPAC name is N-(4-phenyl-1,3-thiazol-2-yl)-2-(4-pyridin-4-ylphenyl)acetamide.

Molecular Properties

Compound NameN-(4-phenyl-1,3-thiazol-2-yl)-2-(4-pyridin-4-ylphenyl)acetamide
PubChem CID58447763
Molecular FormulaC22H17N3OS
Molecular Weight371.47 g/mol
Exact Mass371.11
IUPAC NameN-(4-phenyl-1,3-thiazol-2-yl)-2-(4-pyridin-4-ylphenyl)acetamide
SMILESO=C(Cc1ccc(-c2ccncc2)cc1)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C22H17N3OS/c26-21(25-22-24-20(15-27-22)19-4-2-1-3-5-19)14-16-6-8-17(9-7-16)18-10-12-23-13-11-18/h1-13,15H,14H2,(H,24,25,26)
InChIKeyYLXBWBPZHOOGOX-UHFFFAOYSA-N
XLogP5.05
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.47
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-phenyl-1,3-thiazol-2-yl)-2-(4-pyridin-4-ylphenyl)acetamide?
The IUPAC name of N-(4-phenyl-1,3-thiazol-2-yl)-2-(4-pyridin-4-ylphenyl)acetamide (CID 58447763) is N-(4-phenyl-1,3-thiazol-2-yl)-2-(4-pyridin-4-ylphenyl)acetamide.
What is the SMILES notation for N-(4-phenyl-1,3-thiazol-2-yl)-2-(4-pyridin-4-ylphenyl)acetamide?
The canonical SMILES for N-(4-phenyl-1,3-thiazol-2-yl)-2-(4-pyridin-4-ylphenyl)acetamide is O=C(Cc1ccc(-c2ccncc2)cc1)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of N-(4-phenyl-1,3-thiazol-2-yl)-2-(4-pyridin-4-ylphenyl)acetamide?
The InChIKey is YLXBWBPZHOOGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3OS/c26-21(25-22-24-20(15-27-22)19-4-2-1-3-5-19)14-16-6-8-17(9-7-16)18-10-12-23-13-11-18/h1-13,15H,14H2,(H,24,25,26).
What are the key properties of N-(4-phenyl-1,3-thiazol-2-yl)-2-(4-pyridin-4-ylphenyl)acetamide?
N-(4-phenyl-1,3-thiazol-2-yl)-2-(4-pyridin-4-ylphenyl)acetamide has a molecular weight of 371.47 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenyl-1,3-thiazol-2-yl)-2-(4-pyridin-4-ylphenyl)acetamide is sourced from PubChem (CID 58447763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).