4-phenyl-2-[6-[6-(4-phenyl-1,3-thiazol-2-yl)-2-pyridinyl]-2-pyridinyl]-1,3-thiazole

C28H18N4S2 — CID 90847149

IUPAC4-phenyl-2-[6-[6-(4-phenyl-1,3-thiazol-2-yl)-2-pyridinyl]-2-pyridinyl]-1,3-thiazole
SMILESc1ccc(-c2csc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)cs5)n4)n3)n2)cc1
InChIInChI=1S/C28H18N4S2/c1-3-9-19(10-4-1)25-17-33-27(31-25)23-15-7-13-21(29-23)22-14-8-16-24(30-22)28-32-26(18-34-28)20-11-5-2-6-12-20/h1-18H
InChIKeyYMFYBBSDMHFWKD-UHFFFAOYSA-N
MW474.61 g/mol
LogP7.72
Rot. Bonds5

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

4-phenyl-2-[6-[6-(4-phenyl-1,3-thiazol-2-yl)-2-pyridinyl]-2-pyridinyl]-1,3-thiazole (PubChem CID 90847149) has the molecular formula C28H18N4S2 and a molecular weight of 474.61 g/mol. Its IUPAC name is 4-phenyl-2-[6-[6-(4-phenyl-1,3-thiazol-2-yl)-2-pyridinyl]-2-pyridinyl]-1,3-thiazole.

Molecular Properties

Compound Name4-phenyl-2-[6-[6-(4-phenyl-1,3-thiazol-2-yl)-2-pyridinyl]-2-pyridinyl]-1,3-thiazole
PubChem CID90847149
Molecular FormulaC28H18N4S2
Molecular Weight474.61 g/mol
Exact Mass474.10
IUPAC Name4-phenyl-2-[6-[6-(4-phenyl-1,3-thiazol-2-yl)-2-pyridinyl]-2-pyridinyl]-1,3-thiazole
SMILESc1ccc(-c2csc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)cs5)n4)n3)n2)cc1
InChIInChI=1S/C28H18N4S2/c1-3-9-19(10-4-1)25-17-33-27(31-25)23-15-7-13-21(29-23)22-14-8-16-24(30-22)28-32-26(18-34-28)20-11-5-2-6-12-20/h1-18H
InChIKeyYMFYBBSDMHFWKD-UHFFFAOYSA-N
XLogP7.72
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.61
LogP ≤ 57.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-[6-[6-(4-phenyl-1,3-thiazol-2-yl)-2-pyridinyl]-2-pyridinyl]-1,3-thiazole?
The IUPAC name of 4-phenyl-2-[6-[6-(4-phenyl-1,3-thiazol-2-yl)-2-pyridinyl]-2-pyridinyl]-1,3-thiazole (CID 90847149) is 4-phenyl-2-[6-[6-(4-phenyl-1,3-thiazol-2-yl)-2-pyridinyl]-2-pyridinyl]-1,3-thiazole.
What is the SMILES notation for 4-phenyl-2-[6-[6-(4-phenyl-1,3-thiazol-2-yl)-2-pyridinyl]-2-pyridinyl]-1,3-thiazole?
The canonical SMILES for 4-phenyl-2-[6-[6-(4-phenyl-1,3-thiazol-2-yl)-2-pyridinyl]-2-pyridinyl]-1,3-thiazole is c1ccc(-c2csc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)cs5)n4)n3)n2)cc1.
What is the InChIKey of 4-phenyl-2-[6-[6-(4-phenyl-1,3-thiazol-2-yl)-2-pyridinyl]-2-pyridinyl]-1,3-thiazole?
The InChIKey is YMFYBBSDMHFWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18N4S2/c1-3-9-19(10-4-1)25-17-33-27(31-25)23-15-7-13-21(29-23)22-14-8-16-24(30-22)28-32-26(18-34-28)20-11-5-2-6-12-20/h1-18H.
What are the key properties of 4-phenyl-2-[6-[6-(4-phenyl-1,3-thiazol-2-yl)-2-pyridinyl]-2-pyridinyl]-1,3-thiazole?
4-phenyl-2-[6-[6-(4-phenyl-1,3-thiazol-2-yl)-2-pyridinyl]-2-pyridinyl]-1,3-thiazole has a molecular weight of 474.61 g/mol, XLogP of 7.72, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-[6-[6-(4-phenyl-1,3-thiazol-2-yl)-2-pyridinyl]-2-pyridinyl]-1,3-thiazole is sourced from PubChem (CID 90847149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).