[4-fluoro-7-(1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine

C12H11FN2OS — CID 56702368

IUPAC[4-fluoro-7-(1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESNCC1Cc2c(F)ccc(-c3nccs3)c2O1
InChIInChI=1S/C12H11FN2OS/c13-10-2-1-8(12-15-3-4-17-12)11-9(10)5-7(6-14)16-11/h1-4,7H,5-6,14H2
InChIKeyREALGRBAFBMZPB-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.21
Rot. Bonds2

About [4-fluoro-7-(1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine

[4-fluoro-7-(1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine (PubChem CID 56702368) has the molecular formula C12H11FN2OS and a molecular weight of 250.30 g/mol. Its IUPAC name is [4-fluoro-7-(1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine.

Molecular Properties

Compound Name[4-fluoro-7-(1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
PubChem CID56702368
Molecular FormulaC12H11FN2OS
Molecular Weight250.30 g/mol
Exact Mass250.06
IUPAC Name[4-fluoro-7-(1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESNCC1Cc2c(F)ccc(-c3nccs3)c2O1
InChIInChI=1S/C12H11FN2OS/c13-10-2-1-8(12-15-3-4-17-12)11-9(10)5-7(6-14)16-11/h1-4,7H,5-6,14H2
InChIKeyREALGRBAFBMZPB-UHFFFAOYSA-N
XLogP2.21
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-fluoro-7-(1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The IUPAC name of [4-fluoro-7-(1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine (CID 56702368) is [4-fluoro-7-(1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine.
What is the SMILES notation for [4-fluoro-7-(1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The canonical SMILES for [4-fluoro-7-(1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine is NCC1Cc2c(F)ccc(-c3nccs3)c2O1.
What is the InChIKey of [4-fluoro-7-(1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The InChIKey is REALGRBAFBMZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2OS/c13-10-2-1-8(12-15-3-4-17-12)11-9(10)5-7(6-14)16-11/h1-4,7H,5-6,14H2.
What are the key properties of [4-fluoro-7-(1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
[4-fluoro-7-(1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine has a molecular weight of 250.30 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-7-(1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine is sourced from PubChem (CID 56702368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).