[2-(furan-3-yl)-1,3-thiazol-4-yl]-[1-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone

C18H16N2O3S — CID 126768282

IUPAC[2-(furan-3-yl)-1,3-thiazol-4-yl]-[1-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
SMILESO=C(c1csc(-c2ccoc2)n1)N1CCc2ccccc2C1CO
InChIInChI=1S/C18H16N2O3S/c21-9-16-14-4-2-1-3-12(14)5-7-20(16)18(22)15-11-24-17(19-15)13-6-8-23-10-13/h1-4,6,8,10-11,16,21H,5,7,9H2
InChIKeyYOXOEFZSGKUVFE-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.13
Rot. Bonds3

About [2-(furan-3-yl)-1,3-thiazol-4-yl]-[1-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone

[2-(furan-3-yl)-1,3-thiazol-4-yl]-[1-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone (PubChem CID 126768282) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is [2-(furan-3-yl)-1,3-thiazol-4-yl]-[1-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone.

Molecular Properties

Compound Name[2-(furan-3-yl)-1,3-thiazol-4-yl]-[1-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
PubChem CID126768282
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC Name[2-(furan-3-yl)-1,3-thiazol-4-yl]-[1-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
SMILESO=C(c1csc(-c2ccoc2)n1)N1CCc2ccccc2C1CO
InChIInChI=1S/C18H16N2O3S/c21-9-16-14-4-2-1-3-12(14)5-7-20(16)18(22)15-11-24-17(19-15)13-6-8-23-10-13/h1-4,6,8,10-11,16,21H,5,7,9H2
InChIKeyYOXOEFZSGKUVFE-UHFFFAOYSA-N
XLogP3.13
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(furan-3-yl)-1,3-thiazol-4-yl]-[1-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
The IUPAC name of [2-(furan-3-yl)-1,3-thiazol-4-yl]-[1-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone (CID 126768282) is [2-(furan-3-yl)-1,3-thiazol-4-yl]-[1-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone.
What is the SMILES notation for [2-(furan-3-yl)-1,3-thiazol-4-yl]-[1-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
The canonical SMILES for [2-(furan-3-yl)-1,3-thiazol-4-yl]-[1-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone is O=C(c1csc(-c2ccoc2)n1)N1CCc2ccccc2C1CO.
What is the InChIKey of [2-(furan-3-yl)-1,3-thiazol-4-yl]-[1-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
The InChIKey is YOXOEFZSGKUVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3S/c21-9-16-14-4-2-1-3-12(14)5-7-20(16)18(22)15-11-24-17(19-15)13-6-8-23-10-13/h1-4,6,8,10-11,16,21H,5,7,9H2.
What are the key properties of [2-(furan-3-yl)-1,3-thiazol-4-yl]-[1-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
[2-(furan-3-yl)-1,3-thiazol-4-yl]-[1-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone has a molecular weight of 340.40 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-3-yl)-1,3-thiazol-4-yl]-[1-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone is sourced from PubChem (CID 126768282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).