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

C12H14ClN3OS — CID 65273738

IUPAC3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]-4-chloroaniline
SMILESCC(C)(C)c1nsc(Oc2cc(N)ccc2Cl)n1
InChIInChI=1S/C12H14ClN3OS/c1-12(2,3)10-15-11(18-16-10)17-9-6-7(14)4-5-8(9)13/h4-6H,14H2,1-3H3
InChIKeyGRVVPBXPOAIIDY-UHFFFAOYSA-N
MW283.78 g/mol
LogP3.86
Rot. Bonds2

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

3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]-4-chloroaniline (PubChem CID 65273738) has the molecular formula C12H14ClN3OS and a molecular weight of 283.78 g/mol. Its IUPAC name is 3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]-4-chloroaniline.

Molecular Properties

Compound Name3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]-4-chloroaniline
PubChem CID65273738
Molecular FormulaC12H14ClN3OS
Molecular Weight283.78 g/mol
Exact Mass283.05
IUPAC Name3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]-4-chloroaniline
SMILESCC(C)(C)c1nsc(Oc2cc(N)ccc2Cl)n1
InChIInChI=1S/C12H14ClN3OS/c1-12(2,3)10-15-11(18-16-10)17-9-6-7(14)4-5-8(9)13/h4-6H,14H2,1-3H3
InChIKeyGRVVPBXPOAIIDY-UHFFFAOYSA-N
XLogP3.86
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.78
LogP ≤ 53.86
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

4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]-2,5-difluoroaniline
CID 65274424
3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]naphthalen-2-ol
CID 65274814
5-bromo-2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]-4-fluoroaniline
CID 103483732
8-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]quinolin-5-amine
CID 65274127
3-tert-butyl-5-[(2-fluoro-3-pyridinyl)oxy]-1,2,4-thiadiazole
CID 133494378
O-(3-tert-butyl-1,2,4-thiadiazol-5-yl)hydroxylamine
CID 79427145
4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]-3-methoxybenzoic acid
CID 65275348
2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]-4-fluorobenzoic acid
CID 107016611
4-chloro-3-[(3-chloro-4-pyridinyl)oxy]aniline
CID 79841304
3-cyclopropyl-5-(2,5-dichlorophenoxy)-1,2,4-thiadiazole
CID 133424386
4-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]-3-methoxyaniline
CID 65274012
4-bromo-3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]aniline
CID 103011754

Frequently Asked Questions

What is the IUPAC name of 3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]-4-chloroaniline?
The IUPAC name of 3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]-4-chloroaniline (CID 65273738) is 3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]-4-chloroaniline.
What is the SMILES notation for 3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]-4-chloroaniline?
The canonical SMILES for 3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]-4-chloroaniline is CC(C)(C)c1nsc(Oc2cc(N)ccc2Cl)n1.
What is the InChIKey of 3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]-4-chloroaniline?
The InChIKey is GRVVPBXPOAIIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3OS/c1-12(2,3)10-15-11(18-16-10)17-9-6-7(14)4-5-8(9)13/h4-6H,14H2,1-3H3.
What are the key properties of 3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]-4-chloroaniline?
3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]-4-chloroaniline has a molecular weight of 283.78 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]-4-chloroaniline is sourced from PubChem (CID 65273738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).