4-phenyl-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzamide

C23H16N4OS — CID 108751770

IUPAC4-phenyl-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzamide
SMILESO=C(Nc1nc2scc(-c3ccccc3)n2n1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H16N4OS/c28-21(19-13-11-17(12-14-19)16-7-3-1-4-8-16)24-22-25-23-27(26-22)20(15-29-23)18-9-5-2-6-10-18/h1-15H,(H,24,26,28)
InChIKeyIHTURFFHWAGIMX-UHFFFAOYSA-N
MW396.48 g/mol
LogP5.38
Rot. Bonds4

About 4-phenyl-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzamide

4-phenyl-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzamide (PubChem CID 108751770) has the molecular formula C23H16N4OS and a molecular weight of 396.48 g/mol. Its IUPAC name is 4-phenyl-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzamide.

Molecular Properties

Compound Name4-phenyl-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzamide
PubChem CID108751770
Molecular FormulaC23H16N4OS
Molecular Weight396.48 g/mol
Exact Mass396.10
IUPAC Name4-phenyl-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzamide
SMILESO=C(Nc1nc2scc(-c3ccccc3)n2n1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H16N4OS/c28-21(19-13-11-17(12-14-19)16-7-3-1-4-8-16)24-22-25-23-27(26-22)20(15-29-23)18-9-5-2-6-10-18/h1-15H,(H,24,26,28)
InChIKeyIHTURFFHWAGIMX-UHFFFAOYSA-N
XLogP5.38
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.48
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-4-phenylbenzamide
CID 108764838
N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-3,5-bis(trifluoromethyl)benzamide
CID 108751894
4-hexoxy-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzamide
CID 108751813
3-phenoxy-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzamide
CID 108727778
N-[6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-4-propan-2-ylbenzamide
CID 108728014
4-methyl-3,5-dinitro-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzamide
CID 108727829
N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-4-pyrrol-1-ylbenzamide
CID 108729006
4-(dimethylamino)-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzamide
CID 108729046
N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-4-propan-2-ylbenzamide
CID 108729205
2-(3-methoxypropyl)-1,3-dioxo-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)isoindole-5-carboxamide
CID 108751805
2-(2,5-dimethylphenyl)-1,3-dioxo-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)isoindole-5-carboxamide
CID 108751801
N-methyl-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
CID 116829136

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzamide?
The IUPAC name of 4-phenyl-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzamide (CID 108751770) is 4-phenyl-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzamide.
What is the SMILES notation for 4-phenyl-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzamide?
The canonical SMILES for 4-phenyl-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzamide is O=C(Nc1nc2scc(-c3ccccc3)n2n1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-phenyl-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzamide?
The InChIKey is IHTURFFHWAGIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4OS/c28-21(19-13-11-17(12-14-19)16-7-3-1-4-8-16)24-22-25-23-27(26-22)20(15-29-23)18-9-5-2-6-10-18/h1-15H,(H,24,26,28).
What are the key properties of 4-phenyl-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzamide?
4-phenyl-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzamide has a molecular weight of 396.48 g/mol, XLogP of 5.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzamide is sourced from PubChem (CID 108751770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).