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

C14H16N2OS — CID 112643567

IUPAC1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
SMILESCNC(Cc1cncs1)C1Cc2ccccc2O1
InChIInChI=1S/C14H16N2OS/c1-15-12(7-11-8-16-9-18-11)14-6-10-4-2-3-5-13(10)17-14/h2-5,8-9,12,14-15H,6-7H2,1H3
InChIKeyCJXVKRTZIHLVGE-UHFFFAOYSA-N
MW260.36 g/mol
LogP2.28
Rot. Bonds4

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

1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine (PubChem CID 112643567) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
PubChem CID112643567
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
SMILESCNC(Cc1cncs1)C1Cc2ccccc2O1
InChIInChI=1S/C14H16N2OS/c1-15-12(7-11-8-16-9-18-11)14-6-10-4-2-3-5-13(10)17-14/h2-5,8-9,12,14-15H,6-7H2,1H3
InChIKeyCJXVKRTZIHLVGE-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 82876393
N-[1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 115979218
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 105030390
1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103012035
[1-(2,3-dihydro-1-benzofuran-2-yl)-3-methylbutyl]hydrazine
CID 105262824
1-(2,3-dihydro-1-benzofuran-2-yl)-N-ethyl-2-pyridin-3-ylethanamine
CID 104736733
1-(2,3-dihydro-1-benzofuran-2-yl)heptylhydrazine
CID 105262982
[1-(2,3-dihydro-1-benzofuran-2-yl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine
CID 105263048
[1-(2,3-dihydro-1-benzofuran-2-yl)-3-methylbut-3-enyl]hydrazine
CID 105263013
[1-(2,3-dihydro-1-benzofuran-2-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethyl]hydrazine
CID 105263051
[1-(2,3-dihydro-1-benzofuran-2-yl)-3-(2-methylpyrazol-3-yl)propyl]hydrazine
CID 103025971
N-methyl-4-phenoxy-1-(1,3-thiazol-5-yl)butan-2-amine
CID 112642684

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine (CID 112643567) is 1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine is CNC(Cc1cncs1)C1Cc2ccccc2O1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine?
The InChIKey is CJXVKRTZIHLVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-15-12(7-11-8-16-9-18-11)14-6-10-4-2-3-5-13(10)17-14/h2-5,8-9,12,14-15H,6-7H2,1H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine?
1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine has a molecular weight of 260.36 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 112643567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).