5-ethyl-2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)oxy]aniline

C13H17N3OS — CID 65273904

IUPAC5-ethyl-2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)oxy]aniline
SMILESCCc1ccc(Oc2nc(C(C)C)ns2)c(N)c1
InChIInChI=1S/C13H17N3OS/c1-4-9-5-6-11(10(14)7-9)17-13-15-12(8(2)3)16-18-13/h5-8H,4,14H2,1-3H3
InChIKeyCPHFSCZCUJXBDQ-UHFFFAOYSA-N
MW263.37 g/mol
LogP3.60
Rot. Bonds4

About 5-ethyl-2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)oxy]aniline

5-ethyl-2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)oxy]aniline (PubChem CID 65273904) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 5-ethyl-2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)oxy]aniline.

Molecular Properties

Compound Name5-ethyl-2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)oxy]aniline
PubChem CID65273904
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name5-ethyl-2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)oxy]aniline
SMILESCCc1ccc(Oc2nc(C(C)C)ns2)c(N)c1
InChIInChI=1S/C13H17N3OS/c1-4-9-5-6-11(10(14)7-9)17-13-15-12(8(2)3)16-18-13/h5-8H,4,14H2,1-3H3
InChIKeyCPHFSCZCUJXBDQ-UHFFFAOYSA-N
XLogP3.60
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-Fluoro-2-methoxy-5-(3-methyl-1,2,4-thiadiazol-5-yl)aniline
CID 171813612
4-Fluoro-2-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]aniline
CID 65272957
4-[(3-Methyl-1,2,4-thiadiazol-5-yl)oxy]-3-(trifluoromethyl)aniline
CID 65273141
5-Fluoro-2-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]aniline
CID 65273260
4-[(3-Propan-2-yl-1,2,4-thiadiazol-5-yl)oxy]-3-(trifluoromethyl)aniline
CID 65273676
3-Fluoro-4-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)oxy]aniline
CID 65273731
2-Fluoro-4-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)oxy]aniline
CID 65273846
2-[(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-4-fluoroaniline
CID 65274124
2-[(3-Ethyl-1,2,4-thiadiazol-5-yl)oxy]-4-fluoroaniline
CID 65274125
2-[(3-Tert-butyl-1,2,4-thiadiazol-5-yl)oxy]-4-fluoroaniline
CID 65274126
4-Fluoro-2-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]aniline
CID 65274182
4-Fluoro-2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)oxy]aniline
CID 65274183

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)oxy]aniline?
The IUPAC name of 5-ethyl-2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)oxy]aniline (CID 65273904) is 5-ethyl-2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)oxy]aniline.
What is the SMILES notation for 5-ethyl-2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)oxy]aniline?
The canonical SMILES for 5-ethyl-2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)oxy]aniline is CCc1ccc(Oc2nc(C(C)C)ns2)c(N)c1.
What is the InChIKey of 5-ethyl-2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)oxy]aniline?
The InChIKey is CPHFSCZCUJXBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-4-9-5-6-11(10(14)7-9)17-13-15-12(8(2)3)16-18-13/h5-8H,4,14H2,1-3H3.
What are the key properties of 5-ethyl-2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)oxy]aniline?
5-ethyl-2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)oxy]aniline has a molecular weight of 263.37 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)oxy]aniline is sourced from PubChem (CID 65273904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).