5-(4-phenylphenyl)-2-pyridin-4-yl-1,3-thiazole

C20H14N2S — CID 2823861

IUPAC5-(4-phenylphenyl)-2-pyridin-4-yl-1,3-thiazole
SMILESc1ccc(-c2ccc(-c3cnc(-c4ccncc4)s3)cc2)cc1
InChIInChI=1S/C20H14N2S/c1-2-4-15(5-3-1)16-6-8-17(9-7-16)19-14-22-20(23-19)18-10-12-21-13-11-18/h1-14H
InChIKeyWQHQEKYSBGLVSP-UHFFFAOYSA-N
MW314.41 g/mol
LogP5.54
Rot. Bonds3

About 5-(4-phenylphenyl)-2-pyridin-4-yl-1,3-thiazole

5-(4-phenylphenyl)-2-pyridin-4-yl-1,3-thiazole (PubChem CID 2823861) has the molecular formula C20H14N2S and a molecular weight of 314.41 g/mol. Its IUPAC name is 5-(4-phenylphenyl)-2-pyridin-4-yl-1,3-thiazole.

Molecular Properties

Compound Name5-(4-phenylphenyl)-2-pyridin-4-yl-1,3-thiazole
PubChem CID2823861
Molecular FormulaC20H14N2S
Molecular Weight314.41 g/mol
Exact Mass314.09
IUPAC Name5-(4-phenylphenyl)-2-pyridin-4-yl-1,3-thiazole
SMILESc1ccc(-c2ccc(-c3cnc(-c4ccncc4)s3)cc2)cc1
InChIInChI=1S/C20H14N2S/c1-2-4-15(5-3-1)16-6-8-17(9-7-16)19-14-22-20(23-19)18-10-12-21-13-11-18/h1-14H
InChIKeyWQHQEKYSBGLVSP-UHFFFAOYSA-N
XLogP5.54
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.41
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-phenylphenyl)-2-pyridin-4-yl-1,3-thiazole?
The IUPAC name of 5-(4-phenylphenyl)-2-pyridin-4-yl-1,3-thiazole (CID 2823861) is 5-(4-phenylphenyl)-2-pyridin-4-yl-1,3-thiazole.
What is the SMILES notation for 5-(4-phenylphenyl)-2-pyridin-4-yl-1,3-thiazole?
The canonical SMILES for 5-(4-phenylphenyl)-2-pyridin-4-yl-1,3-thiazole is c1ccc(-c2ccc(-c3cnc(-c4ccncc4)s3)cc2)cc1.
What is the InChIKey of 5-(4-phenylphenyl)-2-pyridin-4-yl-1,3-thiazole?
The InChIKey is WQHQEKYSBGLVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2S/c1-2-4-15(5-3-1)16-6-8-17(9-7-16)19-14-22-20(23-19)18-10-12-21-13-11-18/h1-14H.
What are the key properties of 5-(4-phenylphenyl)-2-pyridin-4-yl-1,3-thiazole?
5-(4-phenylphenyl)-2-pyridin-4-yl-1,3-thiazole has a molecular weight of 314.41 g/mol, XLogP of 5.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-phenylphenyl)-2-pyridin-4-yl-1,3-thiazole is sourced from PubChem (CID 2823861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).