8-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]quinolin-5-amine

C15H16N4OS — CID 65274127

IUPAC8-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]quinolin-5-amine
SMILESCC(C)(C)c1nsc(Oc2ccc(N)c3cccnc23)n1
InChIInChI=1S/C15H16N4OS/c1-15(2,3)13-18-14(21-19-13)20-11-7-6-10(16)9-5-4-8-17-12(9)11/h4-8H,16H2,1-3H3
InChIKeyLUXBVEJRJIHHAX-UHFFFAOYSA-N
MW300.39 g/mol
LogP3.76
Rot. Bonds2

About 8-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]quinolin-5-amine

8-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]quinolin-5-amine (PubChem CID 65274127) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is 8-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]quinolin-5-amine.

Molecular Properties

Compound Name8-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]quinolin-5-amine
PubChem CID65274127
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC Name8-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]quinolin-5-amine
SMILESCC(C)(C)c1nsc(Oc2ccc(N)c3cccnc23)n1
InChIInChI=1S/C15H16N4OS/c1-15(2,3)13-18-14(21-19-13)20-11-7-6-10(16)9-5-4-8-17-12(9)11/h4-8H,16H2,1-3H3
InChIKeyLUXBVEJRJIHHAX-UHFFFAOYSA-N
XLogP3.76
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

8-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]quinolin-5-amine
CID 65209502
4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]-2,5-difluoroaniline
CID 65274424
5-(1,2,4-thiadiazol-5-yloxy)quinolin-8-amine
CID 116525595
8-(4-methylpyrimidin-2-yl)oxyquinolin-5-amine
CID 62960007
8-(4-chlorophenoxy)quinolin-5-amine
CID 43450277
8-[(3-chloro-4-pyridinyl)oxy]quinolin-5-amine
CID 79840623
8-[(5-methyl-2-pyridinyl)oxy]quinolin-5-amine
CID 60864239
8-(3,5-dichlorophenoxy)quinolin-5-amine
CID 43621813
8-(2,3-dichlorophenoxy)quinolin-5-amine
CID 43450313
8-(2-fluoro-5-methylphenoxy)quinolin-5-amine
CID 64855173
6-(5-aminoquinolin-8-yl)oxypyridine-2-carbonitrile
CID 64587987
8-cyclopropyloxyquinolin-5-amine
CID 156698468

Frequently Asked Questions

What is the IUPAC name of 8-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]quinolin-5-amine?
The IUPAC name of 8-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]quinolin-5-amine (CID 65274127) is 8-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]quinolin-5-amine.
What is the SMILES notation for 8-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]quinolin-5-amine?
The canonical SMILES for 8-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]quinolin-5-amine is CC(C)(C)c1nsc(Oc2ccc(N)c3cccnc23)n1.
What is the InChIKey of 8-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]quinolin-5-amine?
The InChIKey is LUXBVEJRJIHHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS/c1-15(2,3)13-18-14(21-19-13)20-11-7-6-10(16)9-5-4-8-17-12(9)11/h4-8H,16H2,1-3H3.
What are the key properties of 8-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]quinolin-5-amine?
8-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]quinolin-5-amine has a molecular weight of 300.39 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]quinolin-5-amine is sourced from PubChem (CID 65274127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).