5-(3,4-difluorophenoxy)-1,3-benzothiazol-4-amine

C13H8F2N2OS — CID 43554637

IUPAC5-(3,4-difluorophenoxy)-1,3-benzothiazol-4-amine
SMILESNc1c(Oc2ccc(F)c(F)c2)ccc2scnc12
InChIInChI=1S/C13H8F2N2OS/c14-8-2-1-7(5-9(8)15)18-10-3-4-11-13(12(10)16)17-6-19-11/h1-6H,16H2
InChIKeyUHNBYULXAZWAIK-UHFFFAOYSA-N
MW278.28 g/mol
LogP3.95
Rot. Bonds2

About 5-(3,4-difluorophenoxy)-1,3-benzothiazol-4-amine

5-(3,4-difluorophenoxy)-1,3-benzothiazol-4-amine (PubChem CID 43554637) has the molecular formula C13H8F2N2OS and a molecular weight of 278.28 g/mol. Its IUPAC name is 5-(3,4-difluorophenoxy)-1,3-benzothiazol-4-amine.

Molecular Properties

Compound Name5-(3,4-difluorophenoxy)-1,3-benzothiazol-4-amine
PubChem CID43554637
Molecular FormulaC13H8F2N2OS
Molecular Weight278.28 g/mol
Exact Mass278.03
IUPAC Name5-(3,4-difluorophenoxy)-1,3-benzothiazol-4-amine
SMILESNc1c(Oc2ccc(F)c(F)c2)ccc2scnc12
InChIInChI=1S/C13H8F2N2OS/c14-8-2-1-7(5-9(8)15)18-10-3-4-11-13(12(10)16)17-6-19-11/h1-6H,16H2
InChIKeyUHNBYULXAZWAIK-UHFFFAOYSA-N
XLogP3.95
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 53.95
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

5-(4-methylsulfanylphenoxy)-1,3-benzothiazol-4-amine
CID 55246719
5-(4-tert-butylphenoxy)-1,3-benzothiazol-4-amine
CID 43451492
5-[(5-chloro-3-pyridinyl)oxy]-1,3-benzothiazol-4-amine
CID 64599988
4-(1,3-benzothiazol-5-yloxy)-3-methylaniline
CID 66937132
5-chloro-1,3-benzothiazol-4-amine
CID 21486281
2-amino-5-(3,4-difluorophenoxy)pyridine-4-carboxylic acid
CID 114195658
2-(3,4-difluorophenoxy)pyrimidin-5-amine
CID 82234847
2-amino-3-(3,4-difluorophenoxy)benzamide
CID 113333318
4-chloro-6-(3,4-difluorophenoxy)pyrimidin-5-amine
CID 60726327
[5-chloro-2-(3,4-difluorophenoxy)phenyl]methanamine
CID 62493344
2-(3,4-difluorophenoxy)-5-nitroaniline
CID 62506985
4-tert-butyl-1-(3,4-difluorophenoxy)-2-fluorobenzene
CID 167344163

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-difluorophenoxy)-1,3-benzothiazol-4-amine?
The IUPAC name of 5-(3,4-difluorophenoxy)-1,3-benzothiazol-4-amine (CID 43554637) is 5-(3,4-difluorophenoxy)-1,3-benzothiazol-4-amine.
What is the SMILES notation for 5-(3,4-difluorophenoxy)-1,3-benzothiazol-4-amine?
The canonical SMILES for 5-(3,4-difluorophenoxy)-1,3-benzothiazol-4-amine is Nc1c(Oc2ccc(F)c(F)c2)ccc2scnc12.
What is the InChIKey of 5-(3,4-difluorophenoxy)-1,3-benzothiazol-4-amine?
The InChIKey is UHNBYULXAZWAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2N2OS/c14-8-2-1-7(5-9(8)15)18-10-3-4-11-13(12(10)16)17-6-19-11/h1-6H,16H2.
What are the key properties of 5-(3,4-difluorophenoxy)-1,3-benzothiazol-4-amine?
5-(3,4-difluorophenoxy)-1,3-benzothiazol-4-amine has a molecular weight of 278.28 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-difluorophenoxy)-1,3-benzothiazol-4-amine is sourced from PubChem (CID 43554637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).