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

C25H17N3O2S2 — CID 155566832

IUPAC2-hydroxy-5-[2-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazol-4-yl]benzamide
SMILESNC(=O)c1cc(-c2csc(-c3ccc(-c4csc(-c5ccccc5)n4)cc3)n2)ccc1O
InChIInChI=1S/C25H17N3O2S2/c26-23(30)19-12-18(10-11-22(19)29)21-14-32-25(28-21)17-8-6-15(7-9-17)20-13-31-24(27-20)16-4-2-1-3-5-16/h1-14,29H,(H2,26,30)
InChIKeyGIXQZPUIOJFWAJ-UHFFFAOYSA-N
MW455.56 g/mol
LogP6.07
Rot. Bonds5

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

2-hydroxy-5-[2-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazol-4-yl]benzamide (PubChem CID 155566832) has the molecular formula C25H17N3O2S2 and a molecular weight of 455.56 g/mol. Its IUPAC name is 2-hydroxy-5-[2-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazol-4-yl]benzamide.

Molecular Properties

Compound Name2-hydroxy-5-[2-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazol-4-yl]benzamide
PubChem CID155566832
Molecular FormulaC25H17N3O2S2
Molecular Weight455.56 g/mol
Exact Mass455.08
IUPAC Name2-hydroxy-5-[2-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazol-4-yl]benzamide
SMILESNC(=O)c1cc(-c2csc(-c3ccc(-c4csc(-c5ccccc5)n4)cc3)n2)ccc1O
InChIInChI=1S/C25H17N3O2S2/c26-23(30)19-12-18(10-11-22(19)29)21-14-32-25(28-21)17-8-6-15(7-9-17)20-13-31-24(27-20)16-4-2-1-3-5-16/h1-14,29H,(H2,26,30)
InChIKeyGIXQZPUIOJFWAJ-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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Related Compounds

4-(4-phenyl-1,3-thiazol-2-yl)benzene-1,2-diol
CID 169215045
2-methoxy-5-(2-phenyl-1,3-thiazol-4-yl)benzoic acid
CID 18707150
2-chloro-4-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzoic acid
CID 118577090
2-(2-methylphenyl)-5-(4-phenyl-1,3-thiazol-2-yl)benzoic acid
CID 89470594
5-[2-(4-benzylanilino)-1,3-thiazol-4-yl]-2-hydroxybenzoic acid
CID 11516941
2-hydroxy-5-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]benzamide
CID 131963040
N-methyl-4-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 1483692
2-methoxy-5-[[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]benzamide
CID 122286502
4-methyl-2-(4-phenyl-1,3-thiazol-2-yl)phenol
CID 142708641
3,5-dimethyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 122286288
2-hydroxy-5-imidazo[2,1-b][1,3]benzothiazol-2-ylbenzamide
CID 149083158
3-nitro-2-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 174458220

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-[2-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazol-4-yl]benzamide?
The IUPAC name of 2-hydroxy-5-[2-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazol-4-yl]benzamide (CID 155566832) is 2-hydroxy-5-[2-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazol-4-yl]benzamide.
What is the SMILES notation for 2-hydroxy-5-[2-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazol-4-yl]benzamide?
The canonical SMILES for 2-hydroxy-5-[2-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazol-4-yl]benzamide is NC(=O)c1cc(-c2csc(-c3ccc(-c4csc(-c5ccccc5)n4)cc3)n2)ccc1O.
What is the InChIKey of 2-hydroxy-5-[2-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazol-4-yl]benzamide?
The InChIKey is GIXQZPUIOJFWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17N3O2S2/c26-23(30)19-12-18(10-11-22(19)29)21-14-32-25(28-21)17-8-6-15(7-9-17)20-13-31-24(27-20)16-4-2-1-3-5-16/h1-14,29H,(H2,26,30).
What are the key properties of 2-hydroxy-5-[2-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazol-4-yl]benzamide?
2-hydroxy-5-[2-[4-(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-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazol-4-yl]benzamide is sourced from PubChem (CID 155566832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).