N-[[2-(2,3-dihydro-1-benzofuran-2-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]ethanamine

C16H20N2OS — CID 104841389

IUPACN-[[2-(2,3-dihydro-1-benzofuran-2-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(C2Cc3ccccc3O2)nc1CC
InChIInChI=1S/C16H20N2OS/c1-3-12-15(10-17-4-2)20-16(18-12)14-9-11-7-5-6-8-13(11)19-14/h5-8,14,17H,3-4,9-10H2,1-2H3
InChIKeyAHGANVCVFBUTCH-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.49
Rot. Bonds5

About N-[[2-(2,3-dihydro-1-benzofuran-2-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]ethanamine

N-[[2-(2,3-dihydro-1-benzofuran-2-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 104841389) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is N-[[2-(2,3-dihydro-1-benzofuran-2-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(2,3-dihydro-1-benzofuran-2-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID104841389
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC NameN-[[2-(2,3-dihydro-1-benzofuran-2-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(C2Cc3ccccc3O2)nc1CC
InChIInChI=1S/C16H20N2OS/c1-3-12-15(10-17-4-2)20-16(18-12)14-9-11-7-5-6-8-13(11)19-14/h5-8,14,17H,3-4,9-10H2,1-2H3
InChIKeyAHGANVCVFBUTCH-UHFFFAOYSA-N
XLogP3.49
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2,3-dihydro-1-benzofuran-2-yl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 104841205
N-[[2-(2,3-dihydro-1-benzofuran-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
CID 114365037
1-[2-(2,3-dihydro-1-benzofuran-2-yl)-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114363489
N-[[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 65351880
N-[[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 104842100
N-[[5-(2,3-dihydro-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 62137024
N-[[4-ethyl-2-(4-methylmorpholin-2-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 104841266
N-[[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-ethyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 104841603
N-[[4-ethyl-2-(2-phenylethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82431139
1-[2-(3,4-dihydro-2H-chromen-4-yl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 104841063
N-[[2-[(2-chlorophenyl)methyl]-4-ethyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 104841272
N-[[4-ethyl-2-(2-fluorophenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 113459625

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,3-dihydro-1-benzofuran-2-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(2,3-dihydro-1-benzofuran-2-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]ethanamine (CID 104841389) is N-[[2-(2,3-dihydro-1-benzofuran-2-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(2,3-dihydro-1-benzofuran-2-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(2,3-dihydro-1-benzofuran-2-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]ethanamine is CCNCc1sc(C2Cc3ccccc3O2)nc1CC.
What is the InChIKey of N-[[2-(2,3-dihydro-1-benzofuran-2-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is AHGANVCVFBUTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-3-12-15(10-17-4-2)20-16(18-12)14-9-11-7-5-6-8-13(11)19-14/h5-8,14,17H,3-4,9-10H2,1-2H3.
What are the key properties of N-[[2-(2,3-dihydro-1-benzofuran-2-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[2-(2,3-dihydro-1-benzofuran-2-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 288.42 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,3-dihydro-1-benzofuran-2-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 104841389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).