4-[5-(thiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]aniline

C10H7N5OS — CID 63904423

IUPAC4-[5-(thiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]aniline
SMILESNc1ccc(-c2noc(-c3cnns3)n2)cc1
InChIInChI=1S/C10H7N5OS/c11-7-3-1-6(2-4-7)9-13-10(16-14-9)8-5-12-15-17-8/h1-5H,11H2
InChIKeyKJMOYCHSDMWWOX-UHFFFAOYSA-N
MW245.27 g/mol
LogP1.84
Rot. Bonds2

About 4-[5-(thiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]aniline

4-[5-(thiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]aniline (PubChem CID 63904423) has the molecular formula C10H7N5OS and a molecular weight of 245.27 g/mol. Its IUPAC name is 4-[5-(thiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]aniline.

Molecular Properties

Compound Name4-[5-(thiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]aniline
PubChem CID63904423
Molecular FormulaC10H7N5OS
Molecular Weight245.27 g/mol
Exact Mass245.04
IUPAC Name4-[5-(thiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]aniline
SMILESNc1ccc(-c2noc(-c3cnns3)n2)cc1
InChIInChI=1S/C10H7N5OS/c11-7-3-1-6(2-4-7)9-13-10(16-14-9)8-5-12-15-17-8/h1-5H,11H2
InChIKeyKJMOYCHSDMWWOX-UHFFFAOYSA-N
XLogP1.84
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[5-(2-bromofuran-3-yl)-1,2,4-oxadiazol-3-yl]aniline
CID 106855007
4-[5-(3,5-dichlorophenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 43525094
1-[5-(thiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 65215428
4-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 43525136
5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 63260076
4-[5-(2-fluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 62510834
5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 43514715
4-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]aniline
CID 62920467
4-[5-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 63195043
4-[5-(2-fluoro-3-methylphenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 80717873
4-[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]aniline
CID 43525200
4-[5-(2-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 103763599

Frequently Asked Questions

What is the IUPAC name of 4-[5-(thiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]aniline?
The IUPAC name of 4-[5-(thiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]aniline (CID 63904423) is 4-[5-(thiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]aniline.
What is the SMILES notation for 4-[5-(thiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]aniline?
The canonical SMILES for 4-[5-(thiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]aniline is Nc1ccc(-c2noc(-c3cnns3)n2)cc1.
What is the InChIKey of 4-[5-(thiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]aniline?
The InChIKey is KJMOYCHSDMWWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N5OS/c11-7-3-1-6(2-4-7)9-13-10(16-14-9)8-5-12-15-17-8/h1-5H,11H2.
What are the key properties of 4-[5-(thiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]aniline?
4-[5-(thiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]aniline has a molecular weight of 245.27 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(thiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]aniline is sourced from PubChem (CID 63904423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).