2-hydroxy-5-[2-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazol-4-yl]benzamide

C25H17N3O2S2 — CID 162674201

IUPAC2-hydroxy-5-[2-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazol-4-yl]benzamide
SMILESNC(=O)c1cc(-c2csc(-c3cccc(-c4csc(-c5ccccc5)n4)c3)n2)ccc1O
InChIInChI=1S/C25H17N3O2S2/c26-23(30)19-12-17(9-10-22(19)29)21-14-32-25(28-21)18-8-4-7-16(11-18)20-13-31-24(27-20)15-5-2-1-3-6-15/h1-14,29H,(H2,26,30)
InChIKeyIIXUERRYFJFIQW-UHFFFAOYSA-N
MW455.56 g/mol
LogP6.07
Rot. Bonds5

About 2-hydroxy-5-[2-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazol-4-yl]benzamide

2-hydroxy-5-[2-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazol-4-yl]benzamide (PubChem CID 162674201) has the molecular formula C25H17N3O2S2 and a molecular weight of 455.56 g/mol. Its IUPAC name is 2-hydroxy-5-[2-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazol-4-yl]benzamide.

Molecular Properties

Compound Name2-hydroxy-5-[2-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazol-4-yl]benzamide
PubChem CID162674201
Molecular FormulaC25H17N3O2S2
Molecular Weight455.56 g/mol
Exact Mass455.08
IUPAC Name2-hydroxy-5-[2-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazol-4-yl]benzamide
SMILESNC(=O)c1cc(-c2csc(-c3cccc(-c4csc(-c5ccccc5)n4)c3)n2)ccc1O
InChIInChI=1S/C25H17N3O2S2/c26-23(30)19-12-17(9-10-22(19)29)21-14-32-25(28-21)18-8-4-7-16(11-18)20-13-31-24(27-20)15-5-2-1-3-6-15/h1-14,29H,(H2,26,30)
InChIKeyIIXUERRYFJFIQW-UHFFFAOYSA-N
XLogP6.07
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.56
LogP ≤ 56.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-[2-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazol-4-yl]benzamide?
The IUPAC name of 2-hydroxy-5-[2-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazol-4-yl]benzamide (CID 162674201) is 2-hydroxy-5-[2-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazol-4-yl]benzamide.
What is the SMILES notation for 2-hydroxy-5-[2-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazol-4-yl]benzamide?
The canonical SMILES for 2-hydroxy-5-[2-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazol-4-yl]benzamide is NC(=O)c1cc(-c2csc(-c3cccc(-c4csc(-c5ccccc5)n4)c3)n2)ccc1O.
What is the InChIKey of 2-hydroxy-5-[2-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazol-4-yl]benzamide?
The InChIKey is IIXUERRYFJFIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17N3O2S2/c26-23(30)19-12-17(9-10-22(19)29)21-14-32-25(28-21)18-8-4-7-16(11-18)20-13-31-24(27-20)15-5-2-1-3-6-15/h1-14,29H,(H2,26,30).
What are the key properties of 2-hydroxy-5-[2-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazol-4-yl]benzamide?
2-hydroxy-5-[2-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazol-4-yl]benzamide has a molecular weight of 455.56 g/mol, XLogP of 6.07, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-[2-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazol-4-yl]benzamide is sourced from PubChem (CID 162674201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).