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

C12H12N2OS — CID 118760389

IUPAC[7-(1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESNCC1Cc2cccc(-c3nccs3)c2O1
InChIInChI=1S/C12H12N2OS/c13-7-9-6-8-2-1-3-10(11(8)15-9)12-14-4-5-16-12/h1-5,9H,6-7,13H2
InChIKeyJCGAPRYNXNAWIE-UHFFFAOYSA-N
MW232.31 g/mol
LogP2.07
Rot. Bonds2

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

[7-(1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine (PubChem CID 118760389) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is [7-(1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine.

Molecular Properties

Compound Name[7-(1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
PubChem CID118760389
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC Name[7-(1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESNCC1Cc2cccc(-c3nccs3)c2O1
InChIInChI=1S/C12H12N2OS/c13-7-9-6-8-2-1-3-10(11(8)15-9)12-14-4-5-16-12/h1-5,9H,6-7,13H2
InChIKeyJCGAPRYNXNAWIE-UHFFFAOYSA-N
XLogP2.07
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-5-chloro-7-(1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 95230841
[(2S)-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 95388290
[(2R)-7-(3-methylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 95205980
[7-(2,6-dimethylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11960767
[(2R)-7-(2,6-dimethylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 129383306
[7-(2,3-dichlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 69112690
3-pyridin-4-yl-N-[[7-(1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide
CID 74501481
(E)-3-pyridin-4-yl-N-[[(2R)-7-(1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide
CID 26356793
[7-(2-methylpyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 56715765
[(2R)-7-(2-chlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11964054
[7-(2,6-dimethyl-4-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 56701421
[7-(1H-pyrazol-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 56716314

Frequently Asked Questions

What is the IUPAC name of [7-(1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The IUPAC name of [7-(1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine (CID 118760389) is [7-(1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine.
What is the SMILES notation for [7-(1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The canonical SMILES for [7-(1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine is NCC1Cc2cccc(-c3nccs3)c2O1.
What is the InChIKey of [7-(1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The InChIKey is JCGAPRYNXNAWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS/c13-7-9-6-8-2-1-3-10(11(8)15-9)12-14-4-5-16-12/h1-5,9H,6-7,13H2.
What are the key properties of [7-(1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
[7-(1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine has a molecular weight of 232.31 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine is sourced from PubChem (CID 118760389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).