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

C12H11N5OS — CID 65210064

IUPAC3-[5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]aniline
SMILESCCc1nnsc1-c1nc(-c2cccc(N)c2)no1
InChIInChI=1S/C12H11N5OS/c1-2-9-10(19-17-15-9)12-14-11(16-18-12)7-4-3-5-8(13)6-7/h3-6H,2,13H2,1H3
InChIKeyQBXZIMIQMQPOCV-UHFFFAOYSA-N
MW273.32 g/mol
LogP2.40
Rot. Bonds3

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

3-[5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]aniline (PubChem CID 65210064) has the molecular formula C12H11N5OS and a molecular weight of 273.32 g/mol. Its IUPAC name is 3-[5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]aniline.

Molecular Properties

Compound Name3-[5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]aniline
PubChem CID65210064
Molecular FormulaC12H11N5OS
Molecular Weight273.32 g/mol
Exact Mass273.07
IUPAC Name3-[5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]aniline
SMILESCCc1nnsc1-c1nc(-c2cccc(N)c2)no1
InChIInChI=1S/C12H11N5OS/c1-2-9-10(19-17-15-9)12-14-11(16-18-12)7-4-3-5-8(13)6-7/h3-6H,2,13H2,1H3
InChIKeyQBXZIMIQMQPOCV-UHFFFAOYSA-N
XLogP2.40
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 52.40
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

3-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 43525251
4-ethyl-5-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
CID 30029551
3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 42281998
3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 42281999
3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)aniline
CID 43627796
3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 28534056
3-[3-(3-aminophenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 79201009
3-[5-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 103844013
3-[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]aniline
CID 43525333
3-(4,6-diethylpyrimidin-2-yl)aniline
CID 55205096
5-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine
CID 43150811
3-[5-(2,3,4-trifluorophenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 79755139

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]aniline?
The IUPAC name of 3-[5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]aniline (CID 65210064) is 3-[5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]aniline.
What is the SMILES notation for 3-[5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]aniline?
The canonical SMILES for 3-[5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]aniline is CCc1nnsc1-c1nc(-c2cccc(N)c2)no1.
What is the InChIKey of 3-[5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]aniline?
The InChIKey is QBXZIMIQMQPOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5OS/c1-2-9-10(19-17-15-9)12-14-11(16-18-12)7-4-3-5-8(13)6-7/h3-6H,2,13H2,1H3.
What are the key properties of 3-[5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]aniline?
3-[5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]aniline has a molecular weight of 273.32 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]aniline is sourced from PubChem (CID 65210064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).