2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide

C26H19N5OS2 — CID 6411033

IUPAC2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESO=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C26H19N5OS2/c32-22(28-25-27-21(16-33-25)18-10-4-1-5-11-18)17-34-26-29-23(19-12-6-2-7-13-19)24(30-31-26)20-14-8-3-9-15-20/h1-16H,17H2,(H,27,28,32)
InChIKeyXVPLRPAIYKYFPB-UHFFFAOYSA-N
MW481.61 g/mol
LogP6.06
Rot. Bonds7

About 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide

2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide (PubChem CID 6411033) has the molecular formula C26H19N5OS2 and a molecular weight of 481.61 g/mol. Its IUPAC name is 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
PubChem CID6411033
Molecular FormulaC26H19N5OS2
Molecular Weight481.61 g/mol
Exact Mass481.10
IUPAC Name2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESO=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C26H19N5OS2/c32-22(28-25-27-21(16-33-25)18-10-4-1-5-11-18)17-34-26-29-23(19-12-6-2-7-13-19)24(30-31-26)20-14-8-3-9-15-20/h1-16H,17H2,(H,27,28,32)
InChIKeyXVPLRPAIYKYFPB-UHFFFAOYSA-N
XLogP6.06
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.61
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide (CID 6411033) is 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide is O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is XVPLRPAIYKYFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N5OS2/c32-22(28-25-27-21(16-33-25)18-10-4-1-5-11-18)17-34-26-29-23(19-12-6-2-7-13-19)24(30-31-26)20-14-8-3-9-15-20/h1-16H,17H2,(H,27,28,32).
What are the key properties of 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 481.61 g/mol, XLogP of 6.06, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 6411033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).