4-(1,3-benzothiazol-2-yloxy)-3-fluoroaniline

C13H9FN2OS — CID 43259362

IUPAC4-(1,3-benzothiazol-2-yloxy)-3-fluoroaniline
SMILESNc1ccc(Oc2nc3ccccc3s2)c(F)c1
InChIInChI=1S/C13H9FN2OS/c14-9-7-8(15)5-6-11(9)17-13-16-10-3-1-2-4-12(10)18-13/h1-7H,15H2
InChIKeyKUUHUMMZPRYJMK-UHFFFAOYSA-N
MW260.29 g/mol
LogP3.81
Rot. Bonds2

About 4-(1,3-benzothiazol-2-yloxy)-3-fluoroaniline

4-(1,3-benzothiazol-2-yloxy)-3-fluoroaniline (PubChem CID 43259362) has the molecular formula C13H9FN2OS and a molecular weight of 260.29 g/mol. Its IUPAC name is 4-(1,3-benzothiazol-2-yloxy)-3-fluoroaniline.

Molecular Properties

Compound Name4-(1,3-benzothiazol-2-yloxy)-3-fluoroaniline
PubChem CID43259362
Molecular FormulaC13H9FN2OS
Molecular Weight260.29 g/mol
Exact Mass260.04
IUPAC Name4-(1,3-benzothiazol-2-yloxy)-3-fluoroaniline
SMILESNc1ccc(Oc2nc3ccccc3s2)c(F)c1
InChIInChI=1S/C13H9FN2OS/c14-9-7-8(15)5-6-11(9)17-13-16-10-3-1-2-4-12(10)18-13/h1-7H,15H2
InChIKeyKUUHUMMZPRYJMK-UHFFFAOYSA-N
XLogP3.81
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1,3-benzothiazol-2-yloxy)-5-fluoroaniline
CID 62367674
4-(1,3-benzothiazol-2-yloxy)-5-fluoro-2-methylaniline
CID 114417456
2-(1,3-benzothiazol-2-yloxy)-4,5-dichloroaniline
CID 107501103
1-[4-(1,3-benzothiazol-2-yloxy)-3-fluorophenyl]-3-methylpentan-3-ol
CID 163618338
3-fluoro-4-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]aniline
CID 114449793
2-(1,3-benzothiazol-2-yloxy)-3-bromoaniline
CID 81499967
4-(2-aminophenoxy)-3-fluoroaniline
CID 66486737
2-(4-chlorophenoxy)-1,3-benzothiazole
CID 11837172
2-(4-bromo-2-chlorophenoxy)-1,3-benzothiazol-6-amine
CID 63457269
1-[4-(1,3-benzothiazol-2-yloxy)-3-chlorophenyl]-2,2,2-trifluoroethanol
CID 154645800
2-(1,3-benzothiazol-2-yloxy)-5-methylbenzoic acid
CID 61396339
4-(4-aminophenoxy)-3-fluoroaniline
CID 66486728

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzothiazol-2-yloxy)-3-fluoroaniline?
The IUPAC name of 4-(1,3-benzothiazol-2-yloxy)-3-fluoroaniline (CID 43259362) is 4-(1,3-benzothiazol-2-yloxy)-3-fluoroaniline.
What is the SMILES notation for 4-(1,3-benzothiazol-2-yloxy)-3-fluoroaniline?
The canonical SMILES for 4-(1,3-benzothiazol-2-yloxy)-3-fluoroaniline is Nc1ccc(Oc2nc3ccccc3s2)c(F)c1.
What is the InChIKey of 4-(1,3-benzothiazol-2-yloxy)-3-fluoroaniline?
The InChIKey is KUUHUMMZPRYJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2OS/c14-9-7-8(15)5-6-11(9)17-13-16-10-3-1-2-4-12(10)18-13/h1-7H,15H2.
What are the key properties of 4-(1,3-benzothiazol-2-yloxy)-3-fluoroaniline?
4-(1,3-benzothiazol-2-yloxy)-3-fluoroaniline has a molecular weight of 260.29 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzothiazol-2-yloxy)-3-fluoroaniline is sourced from PubChem (CID 43259362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).