(7-fluoro-1-benzofuran-2-yl)-(1,3-thiazol-2-yl)methanamine

C12H9FN2OS — CID 112614588

IUPAC(7-fluoro-1-benzofuran-2-yl)-(1,3-thiazol-2-yl)methanamine
SMILESNC(c1cc2cccc(F)c2o1)c1nccs1
InChIInChI=1S/C12H9FN2OS/c13-8-3-1-2-7-6-9(16-11(7)8)10(14)12-15-4-5-17-12/h1-6,10H,14H2
InChIKeyHZMGESLINPUJMC-UHFFFAOYSA-N
MW248.28 g/mol
LogP3.08
Rot. Bonds2

About (7-fluoro-1-benzofuran-2-yl)-(1,3-thiazol-2-yl)methanamine

(7-fluoro-1-benzofuran-2-yl)-(1,3-thiazol-2-yl)methanamine (PubChem CID 112614588) has the molecular formula C12H9FN2OS and a molecular weight of 248.28 g/mol. Its IUPAC name is (7-fluoro-1-benzofuran-2-yl)-(1,3-thiazol-2-yl)methanamine.

Molecular Properties

Compound Name(7-fluoro-1-benzofuran-2-yl)-(1,3-thiazol-2-yl)methanamine
PubChem CID112614588
Molecular FormulaC12H9FN2OS
Molecular Weight248.28 g/mol
Exact Mass248.04
IUPAC Name(7-fluoro-1-benzofuran-2-yl)-(1,3-thiazol-2-yl)methanamine
SMILESNC(c1cc2cccc(F)c2o1)c1nccs1
InChIInChI=1S/C12H9FN2OS/c13-8-3-1-2-7-6-9(16-11(7)8)10(14)12-15-4-5-17-12/h1-6,10H,14H2
InChIKeyHZMGESLINPUJMC-UHFFFAOYSA-N
XLogP3.08
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7-fluoro-1-benzofuran-2-yl)-(1,3-thiazol-2-yl)methanamine?
The IUPAC name of (7-fluoro-1-benzofuran-2-yl)-(1,3-thiazol-2-yl)methanamine (CID 112614588) is (7-fluoro-1-benzofuran-2-yl)-(1,3-thiazol-2-yl)methanamine.
What is the SMILES notation for (7-fluoro-1-benzofuran-2-yl)-(1,3-thiazol-2-yl)methanamine?
The canonical SMILES for (7-fluoro-1-benzofuran-2-yl)-(1,3-thiazol-2-yl)methanamine is NC(c1cc2cccc(F)c2o1)c1nccs1.
What is the InChIKey of (7-fluoro-1-benzofuran-2-yl)-(1,3-thiazol-2-yl)methanamine?
The InChIKey is HZMGESLINPUJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2OS/c13-8-3-1-2-7-6-9(16-11(7)8)10(14)12-15-4-5-17-12/h1-6,10H,14H2.
What are the key properties of (7-fluoro-1-benzofuran-2-yl)-(1,3-thiazol-2-yl)methanamine?
(7-fluoro-1-benzofuran-2-yl)-(1,3-thiazol-2-yl)methanamine has a molecular weight of 248.28 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-fluoro-1-benzofuran-2-yl)-(1,3-thiazol-2-yl)methanamine is sourced from PubChem (CID 112614588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).