6-fluoro-N-(thiophen-2-ylmethyl)-1,3-benzothiazol-2-amine

C12H9FN2S2 — CID 79144448

IUPAC6-fluoro-N-(thiophen-2-ylmethyl)-1,3-benzothiazol-2-amine
SMILESFc1ccc2nc(NCc3cccs3)sc2c1
InChIInChI=1S/C12H9FN2S2/c13-8-3-4-10-11(6-8)17-12(15-10)14-7-9-2-1-5-16-9/h1-6H,7H2,(H,14,15)
InChIKeyYNKPYWCJPDDADX-UHFFFAOYSA-N
MW264.35 g/mol
LogP4.11
Rot. Bonds3

About 6-fluoro-N-(thiophen-2-ylmethyl)-1,3-benzothiazol-2-amine

6-fluoro-N-(thiophen-2-ylmethyl)-1,3-benzothiazol-2-amine (PubChem CID 79144448) has the molecular formula C12H9FN2S2 and a molecular weight of 264.35 g/mol. Its IUPAC name is 6-fluoro-N-(thiophen-2-ylmethyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-fluoro-N-(thiophen-2-ylmethyl)-1,3-benzothiazol-2-amine
PubChem CID79144448
Molecular FormulaC12H9FN2S2
Molecular Weight264.35 g/mol
Exact Mass264.02
IUPAC Name6-fluoro-N-(thiophen-2-ylmethyl)-1,3-benzothiazol-2-amine
SMILESFc1ccc2nc(NCc3cccs3)sc2c1
InChIInChI=1S/C12H9FN2S2/c13-8-3-4-10-11(6-8)17-12(15-10)14-7-9-2-1-5-16-9/h1-6H,7H2,(H,14,15)
InChIKeyYNKPYWCJPDDADX-UHFFFAOYSA-N
XLogP4.11
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(thiophen-2-ylmethyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-fluoro-N-(thiophen-2-ylmethyl)-1,3-benzothiazol-2-amine (CID 79144448) is 6-fluoro-N-(thiophen-2-ylmethyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-fluoro-N-(thiophen-2-ylmethyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-fluoro-N-(thiophen-2-ylmethyl)-1,3-benzothiazol-2-amine is Fc1ccc2nc(NCc3cccs3)sc2c1.
What is the InChIKey of 6-fluoro-N-(thiophen-2-ylmethyl)-1,3-benzothiazol-2-amine?
The InChIKey is YNKPYWCJPDDADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2S2/c13-8-3-4-10-11(6-8)17-12(15-10)14-7-9-2-1-5-16-9/h1-6H,7H2,(H,14,15).
What are the key properties of 6-fluoro-N-(thiophen-2-ylmethyl)-1,3-benzothiazol-2-amine?
6-fluoro-N-(thiophen-2-ylmethyl)-1,3-benzothiazol-2-amine has a molecular weight of 264.35 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(thiophen-2-ylmethyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 79144448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).