5-(2,2,3,3-tetrafluoropropoxy)-1,3-benzothiazol-4-amine

C10H8F4N2OS — CID 43383136

IUPAC5-(2,2,3,3-tetrafluoropropoxy)-1,3-benzothiazol-4-amine
SMILESNc1c(OCC(F)(F)C(F)F)ccc2scnc12
InChIInChI=1S/C10H8F4N2OS/c11-9(12)10(13,14)3-17-5-1-2-6-8(7(5)15)16-4-18-6/h1-2,4,9H,3,15H2
InChIKeyGXZVZNHWUTXWMA-UHFFFAOYSA-N
MW280.25 g/mol
LogP3.16
Rot. Bonds4

About 5-(2,2,3,3-tetrafluoropropoxy)-1,3-benzothiazol-4-amine

5-(2,2,3,3-tetrafluoropropoxy)-1,3-benzothiazol-4-amine (PubChem CID 43383136) has the molecular formula C10H8F4N2OS and a molecular weight of 280.25 g/mol. Its IUPAC name is 5-(2,2,3,3-tetrafluoropropoxy)-1,3-benzothiazol-4-amine.

Molecular Properties

Compound Name5-(2,2,3,3-tetrafluoropropoxy)-1,3-benzothiazol-4-amine
PubChem CID43383136
Molecular FormulaC10H8F4N2OS
Molecular Weight280.25 g/mol
Exact Mass280.03
IUPAC Name5-(2,2,3,3-tetrafluoropropoxy)-1,3-benzothiazol-4-amine
SMILESNc1c(OCC(F)(F)C(F)F)ccc2scnc12
InChIInChI=1S/C10H8F4N2OS/c11-9(12)10(13,14)3-17-5-1-2-6-8(7(5)15)16-4-18-6/h1-2,4,9H,3,15H2
InChIKeyGXZVZNHWUTXWMA-UHFFFAOYSA-N
XLogP3.16
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2,3,3-tetrafluoropropoxy)-1,3-benzothiazol-4-amine?
The IUPAC name of 5-(2,2,3,3-tetrafluoropropoxy)-1,3-benzothiazol-4-amine (CID 43383136) is 5-(2,2,3,3-tetrafluoropropoxy)-1,3-benzothiazol-4-amine.
What is the SMILES notation for 5-(2,2,3,3-tetrafluoropropoxy)-1,3-benzothiazol-4-amine?
The canonical SMILES for 5-(2,2,3,3-tetrafluoropropoxy)-1,3-benzothiazol-4-amine is Nc1c(OCC(F)(F)C(F)F)ccc2scnc12.
What is the InChIKey of 5-(2,2,3,3-tetrafluoropropoxy)-1,3-benzothiazol-4-amine?
The InChIKey is GXZVZNHWUTXWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F4N2OS/c11-9(12)10(13,14)3-17-5-1-2-6-8(7(5)15)16-4-18-6/h1-2,4,9H,3,15H2.
What are the key properties of 5-(2,2,3,3-tetrafluoropropoxy)-1,3-benzothiazol-4-amine?
5-(2,2,3,3-tetrafluoropropoxy)-1,3-benzothiazol-4-amine has a molecular weight of 280.25 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2,3,3-tetrafluoropropoxy)-1,3-benzothiazol-4-amine is sourced from PubChem (CID 43383136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).