6-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2,3-dihydro-1-benzofuran-3-amine

C13H14N2O2S — CID 63097431

IUPAC6-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2,3-dihydro-1-benzofuran-3-amine
SMILESCc1nc(COc2ccc3c(c2)OCC3N)cs1
InChIInChI=1S/C13H14N2O2S/c1-8-15-9(7-18-8)5-16-10-2-3-11-12(14)6-17-13(11)4-10/h2-4,7,12H,5-6,14H2,1H3
InChIKeyGPEIHKPLKUWIFV-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.42
Rot. Bonds3

About 6-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2,3-dihydro-1-benzofuran-3-amine

6-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 63097431) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 6-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name6-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2,3-dihydro-1-benzofuran-3-amine
PubChem CID63097431
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name6-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2,3-dihydro-1-benzofuran-3-amine
SMILESCc1nc(COc2ccc3c(c2)OCC3N)cs1
InChIInChI=1S/C13H14N2O2S/c1-8-15-9(7-18-8)5-16-10-2-3-11-12(14)6-17-13(11)4-10/h2-4,7,12H,5-6,14H2,1H3
InChIKeyGPEIHKPLKUWIFV-UHFFFAOYSA-N
XLogP2.42
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(4-bromothiophen-2-yl)methoxy]-2,3-dihydro-1-benzofuran-3-amine
CID 63095837
6-(pyrimidin-2-ylmethoxy)-2,3-dihydro-1-benzofuran-3-amine
CID 63097070
2-[[(3R)-3-amino-2,3-dihydro-1-benzofuran-6-yl]oxy]ethanol
CID 130038415
6-[(2-methyltetrazol-5-yl)methoxy]-2,3-dihydro-1-benzofuran-3-amine
CID 107041423
6-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-2,3-dihydro-1-benzofuran-3-amine
CID 63095491
6-[(2-methoxy-5-methylphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-amine
CID 63096723
6-(3-methylsulfonylpropoxy)-2,3-dihydro-1-benzofuran-3-amine
CID 63190974
N-propyl-6-(1,3-thiazol-4-ylmethoxy)-2,3-dihydro-1-benzofuran-3-amine
CID 63094821
6-(2-propan-2-ylsulfonylethoxy)-2,3-dihydro-1-benzofuran-3-amine
CID 106722241
[4-(1,3-benzodioxol-5-yloxymethyl)-1,3-thiazol-2-yl]methanamine
CID 62450878
6-[2-(1-methylimidazol-2-yl)ethoxy]-2,3-dihydro-1-benzofuran-3-amine
CID 114527225
N-(4-aminocyclohexyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide;dihydrochloride
CID 119477541

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 6-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2,3-dihydro-1-benzofuran-3-amine (CID 63097431) is 6-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 6-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 6-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2,3-dihydro-1-benzofuran-3-amine is Cc1nc(COc2ccc3c(c2)OCC3N)cs1.
What is the InChIKey of 6-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is GPEIHKPLKUWIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-8-15-9(7-18-8)5-16-10-2-3-11-12(14)6-17-13(11)4-10/h2-4,7,12H,5-6,14H2,1H3.
What are the key properties of 6-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2,3-dihydro-1-benzofuran-3-amine?
6-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 262.33 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 63097431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).