2-(2-nitrosophenyl)-5-phenyl-1,3,4-thiadiazole

C14H9N3OS — CID 58148625

IUPAC2-(2-nitrosophenyl)-5-phenyl-1,3,4-thiadiazole
SMILESO=Nc1ccccc1-c1nnc(-c2ccccc2)s1
InChIInChI=1S/C14H9N3OS/c18-17-12-9-5-4-8-11(12)14-16-15-13(19-14)10-6-2-1-3-7-10/h1-9H
InChIKeyFXDGDLGCCBZTIL-UHFFFAOYSA-N
MW267.31 g/mol
LogP4.27
Rot. Bonds3

About 2-(2-nitrosophenyl)-5-phenyl-1,3,4-thiadiazole

2-(2-nitrosophenyl)-5-phenyl-1,3,4-thiadiazole (PubChem CID 58148625) has the molecular formula C14H9N3OS and a molecular weight of 267.31 g/mol. Its IUPAC name is 2-(2-nitrosophenyl)-5-phenyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(2-nitrosophenyl)-5-phenyl-1,3,4-thiadiazole
PubChem CID58148625
Molecular FormulaC14H9N3OS
Molecular Weight267.31 g/mol
Exact Mass267.05
IUPAC Name2-(2-nitrosophenyl)-5-phenyl-1,3,4-thiadiazole
SMILESO=Nc1ccccc1-c1nnc(-c2ccccc2)s1
InChIInChI=1S/C14H9N3OS/c18-17-12-9-5-4-8-11(12)14-16-15-13(19-14)10-6-2-1-3-7-10/h1-9H
InChIKeyFXDGDLGCCBZTIL-UHFFFAOYSA-N
XLogP4.27
TPSA55.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-nitrosophenyl)-5-phenyl-1,3,4-thiadiazole?
The IUPAC name of 2-(2-nitrosophenyl)-5-phenyl-1,3,4-thiadiazole (CID 58148625) is 2-(2-nitrosophenyl)-5-phenyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-(2-nitrosophenyl)-5-phenyl-1,3,4-thiadiazole?
The canonical SMILES for 2-(2-nitrosophenyl)-5-phenyl-1,3,4-thiadiazole is O=Nc1ccccc1-c1nnc(-c2ccccc2)s1.
What is the InChIKey of 2-(2-nitrosophenyl)-5-phenyl-1,3,4-thiadiazole?
The InChIKey is FXDGDLGCCBZTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3OS/c18-17-12-9-5-4-8-11(12)14-16-15-13(19-14)10-6-2-1-3-7-10/h1-9H.
What are the key properties of 2-(2-nitrosophenyl)-5-phenyl-1,3,4-thiadiazole?
2-(2-nitrosophenyl)-5-phenyl-1,3,4-thiadiazole has a molecular weight of 267.31 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitrosophenyl)-5-phenyl-1,3,4-thiadiazole is sourced from PubChem (CID 58148625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).