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

C14H16N2OS — CID 61330790

IUPACN-[2,3-dihydro-1-benzofuran-5-yl(1,3-thiazol-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc2c(c1)CCO2)c1nccs1
InChIInChI=1S/C14H16N2OS/c1-2-15-13(14-16-6-8-18-14)11-3-4-12-10(9-11)5-7-17-12/h3-4,6,8-9,13,15H,2,5,7H2,1H3
InChIKeyQKFLJXRSDHWGOT-UHFFFAOYSA-N
MW260.36 g/mol
LogP2.78
Rot. Bonds4

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

N-[2,3-dihydro-1-benzofuran-5-yl(1,3-thiazol-2-yl)methyl]ethanamine (PubChem CID 61330790) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is N-[2,3-dihydro-1-benzofuran-5-yl(1,3-thiazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[2,3-dihydro-1-benzofuran-5-yl(1,3-thiazol-2-yl)methyl]ethanamine
PubChem CID61330790
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC NameN-[2,3-dihydro-1-benzofuran-5-yl(1,3-thiazol-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc2c(c1)CCO2)c1nccs1
InChIInChI=1S/C14H16N2OS/c1-2-15-13(14-16-6-8-18-14)11-3-4-12-10(9-11)5-7-17-12/h3-4,6,8-9,13,15H,2,5,7H2,1H3
InChIKeyQKFLJXRSDHWGOT-UHFFFAOYSA-N
XLogP2.78
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(1,3-thiazol-2-yl)propyl]propan-1-amine
CID 104584906
N-[2,3-dihydro-1-benzofuran-5-yl(pyrimidin-4-yl)methyl]ethanamine
CID 104542545
N-[2,3-dihydro-1-benzofuran-5-yl(phenyl)methyl]ethanamine
CID 43489842
N-[(S)-2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]ethanamine
CID 51695445
N-[2,3-dihydro-1-benzofuran-5-yl-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 115858500
N-[2,3-dihydro-1-benzofuran-5-yl-(5-methylfuran-2-yl)methyl]ethanamine
CID 43489820
N-[2,3-dihydro-1-benzofuran-5-yl(2H-triazol-4-yl)methyl]ethanamine
CID 113425125
N-[(3-chlorothiophen-2-yl)-(3,4-dihydro-2H-chromen-6-yl)methyl]ethanamine
CID 80643911
N-[(3-chloro-4-iodophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]ethanamine
CID 103216192
N-[2,3-dihydro-1-benzofuran-5-yl-(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 63209957
N-[(5-bromofuran-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]ethanamine
CID 43489829
N-[2,3-dihydro-1-benzofuran-5-yl-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine
CID 105180121

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydro-1-benzofuran-5-yl(1,3-thiazol-2-yl)methyl]ethanamine?
The IUPAC name of N-[2,3-dihydro-1-benzofuran-5-yl(1,3-thiazol-2-yl)methyl]ethanamine (CID 61330790) is N-[2,3-dihydro-1-benzofuran-5-yl(1,3-thiazol-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[2,3-dihydro-1-benzofuran-5-yl(1,3-thiazol-2-yl)methyl]ethanamine?
The canonical SMILES for N-[2,3-dihydro-1-benzofuran-5-yl(1,3-thiazol-2-yl)methyl]ethanamine is CCNC(c1ccc2c(c1)CCO2)c1nccs1.
What is the InChIKey of N-[2,3-dihydro-1-benzofuran-5-yl(1,3-thiazol-2-yl)methyl]ethanamine?
The InChIKey is QKFLJXRSDHWGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-2-15-13(14-16-6-8-18-14)11-3-4-12-10(9-11)5-7-17-12/h3-4,6,8-9,13,15H,2,5,7H2,1H3.
What are the key properties of N-[2,3-dihydro-1-benzofuran-5-yl(1,3-thiazol-2-yl)methyl]ethanamine?
N-[2,3-dihydro-1-benzofuran-5-yl(1,3-thiazol-2-yl)methyl]ethanamine has a molecular weight of 260.36 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dihydro-1-benzofuran-5-yl(1,3-thiazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 61330790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).