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

C14H16N2OS — CID 62196657

IUPACN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-(1,3-thiazol-2-yl)ethanamine
SMILESc1csc(CCNCc2ccc3c(c2)CCO3)n1
InChIInChI=1S/C14H16N2OS/c1-2-13-12(4-7-17-13)9-11(1)10-15-5-3-14-16-6-8-18-14/h1-2,6,8-9,15H,3-5,7,10H2
InChIKeyIGTRKKVZODDYKZ-UHFFFAOYSA-N
MW260.36 g/mol
LogP2.41
Rot. Bonds5

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

N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-(1,3-thiazol-2-yl)ethanamine (PubChem CID 62196657) 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-ylmethyl)-2-(1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-(1,3-thiazol-2-yl)ethanamine
PubChem CID62196657
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC NameN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-(1,3-thiazol-2-yl)ethanamine
SMILESc1csc(CCNCc2ccc3c(c2)CCO3)n1
InChIInChI=1S/C14H16N2OS/c1-2-13-12(4-7-17-13)9-11(1)10-15-5-3-14-16-6-8-18-14/h1-2,6,8-9,15H,3-5,7,10H2
InChIKeyIGTRKKVZODDYKZ-UHFFFAOYSA-N
XLogP2.41
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-thiazol-2-yl)ethanamine
CID 63242514
N-(1,3-thiazol-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine
CID 63654803
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 60923933
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 63332725
(2,3-dihydro-1-benzofuran-5-ylmethylamino)methanethiol
CID 59518007
1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 103700600
3-(2,3-dihydro-1-benzofuran-5-ylmethylamino)propanoic acid
CID 43804240
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)hexan-1-amine
CID 43804174
N-[(4-fluorophenyl)methyl]-2-(1,3-thiazol-2-yl)ethanamine
CID 62196333
3-[4-[[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]methyl]phenyl]propan-1-amine
CID 143299498
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-phenoxyethanamine
CID 61038414
2-(2,3-dihydro-1-benzofuran-5-yl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 65446546

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-(1,3-thiazol-2-yl)ethanamine?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-(1,3-thiazol-2-yl)ethanamine (CID 62196657) is N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-(1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-(1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-(1,3-thiazol-2-yl)ethanamine is c1csc(CCNCc2ccc3c(c2)CCO3)n1.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-(1,3-thiazol-2-yl)ethanamine?
The InChIKey is IGTRKKVZODDYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-2-13-12(4-7-17-13)9-11(1)10-15-5-3-14-16-6-8-18-14/h1-2,6,8-9,15H,3-5,7,10H2.
What are the key properties of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-(1,3-thiazol-2-yl)ethanamine?
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-(1,3-thiazol-2-yl)ethanamine has a molecular weight of 260.36 g/mol, XLogP of 2.41, 5 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-ylmethyl)-2-(1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 62196657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).