N-benzyl-6-fluoro-1,3-benzothiazol-2-amine

C14H11FN2S — CID 2095689

IUPACN-benzyl-6-fluoro-1,3-benzothiazol-2-amine
SMILESFc1ccc2nc(NCc3ccccc3)sc2c1
InChIInChI=1S/C14H11FN2S/c15-11-6-7-12-13(8-11)18-14(17-12)16-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17)
InChIKeyAASSTUSOWJMKQD-UHFFFAOYSA-N
MW258.32 g/mol
LogP4.05
Rot. Bonds3

About N-benzyl-6-fluoro-1,3-benzothiazol-2-amine

N-benzyl-6-fluoro-1,3-benzothiazol-2-amine (PubChem CID 2095689) has the molecular formula C14H11FN2S and a molecular weight of 258.32 g/mol. Its IUPAC name is N-benzyl-6-fluoro-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-benzyl-6-fluoro-1,3-benzothiazol-2-amine
PubChem CID2095689
Molecular FormulaC14H11FN2S
Molecular Weight258.32 g/mol
Exact Mass258.06
IUPAC NameN-benzyl-6-fluoro-1,3-benzothiazol-2-amine
SMILESFc1ccc2nc(NCc3ccccc3)sc2c1
InChIInChI=1S/C14H11FN2S/c15-11-6-7-12-13(8-11)18-14(17-12)16-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17)
InChIKeyAASSTUSOWJMKQD-UHFFFAOYSA-N
XLogP4.05
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-fluoro-1,3-benzothiazol-2-amine?
The IUPAC name of N-benzyl-6-fluoro-1,3-benzothiazol-2-amine (CID 2095689) is N-benzyl-6-fluoro-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-benzyl-6-fluoro-1,3-benzothiazol-2-amine?
The canonical SMILES for N-benzyl-6-fluoro-1,3-benzothiazol-2-amine is Fc1ccc2nc(NCc3ccccc3)sc2c1.
What is the InChIKey of N-benzyl-6-fluoro-1,3-benzothiazol-2-amine?
The InChIKey is AASSTUSOWJMKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2S/c15-11-6-7-12-13(8-11)18-14(17-12)16-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17).
What are the key properties of N-benzyl-6-fluoro-1,3-benzothiazol-2-amine?
N-benzyl-6-fluoro-1,3-benzothiazol-2-amine has a molecular weight of 258.32 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-fluoro-1,3-benzothiazol-2-amine is sourced from PubChem (CID 2095689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).