N-propyl-6-(1,3-thiazol-4-ylmethoxy)-2,3-dihydro-1-benzofuran-3-amine

C15H18N2O2S — CID 63094821

IUPACN-propyl-6-(1,3-thiazol-4-ylmethoxy)-2,3-dihydro-1-benzofuran-3-amine
SMILESCCCNC1COc2cc(OCc3cscn3)ccc21
InChIInChI=1S/C15H18N2O2S/c1-2-5-16-14-8-19-15-6-12(3-4-13(14)15)18-7-11-9-20-10-17-11/h3-4,6,9-10,14,16H,2,5,7-8H2,1H3
InChIKeyNLIIGQAYLSCPDF-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.16
Rot. Bonds6

About N-propyl-6-(1,3-thiazol-4-ylmethoxy)-2,3-dihydro-1-benzofuran-3-amine

N-propyl-6-(1,3-thiazol-4-ylmethoxy)-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 63094821) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is N-propyl-6-(1,3-thiazol-4-ylmethoxy)-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound NameN-propyl-6-(1,3-thiazol-4-ylmethoxy)-2,3-dihydro-1-benzofuran-3-amine
PubChem CID63094821
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC NameN-propyl-6-(1,3-thiazol-4-ylmethoxy)-2,3-dihydro-1-benzofuran-3-amine
SMILESCCCNC1COc2cc(OCc3cscn3)ccc21
InChIInChI=1S/C15H18N2O2S/c1-2-5-16-14-8-19-15-6-12(3-4-13(14)15)18-7-11-9-20-10-17-11/h3-4,6,9-10,14,16H,2,5,7-8H2,1H3
InChIKeyNLIIGQAYLSCPDF-UHFFFAOYSA-N
XLogP3.16
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-propyl-6-(1,3-thiazol-4-ylmethoxy)-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of N-propyl-6-(1,3-thiazol-4-ylmethoxy)-2,3-dihydro-1-benzofuran-3-amine (CID 63094821) is N-propyl-6-(1,3-thiazol-4-ylmethoxy)-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for N-propyl-6-(1,3-thiazol-4-ylmethoxy)-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for N-propyl-6-(1,3-thiazol-4-ylmethoxy)-2,3-dihydro-1-benzofuran-3-amine is CCCNC1COc2cc(OCc3cscn3)ccc21.
What is the InChIKey of N-propyl-6-(1,3-thiazol-4-ylmethoxy)-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is NLIIGQAYLSCPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-2-5-16-14-8-19-15-6-12(3-4-13(14)15)18-7-11-9-20-10-17-11/h3-4,6,9-10,14,16H,2,5,7-8H2,1H3.
What are the key properties of N-propyl-6-(1,3-thiazol-4-ylmethoxy)-2,3-dihydro-1-benzofuran-3-amine?
N-propyl-6-(1,3-thiazol-4-ylmethoxy)-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 290.39 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-6-(1,3-thiazol-4-ylmethoxy)-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 63094821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).