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

C16H20N2OS — CID 63238411

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]ethanamine
SMILESCc1csc(CCNC(C)c2ccc3c(c2)CCO3)n1
InChIInChI=1S/C16H20N2OS/c1-11-10-20-16(18-11)5-7-17-12(2)13-3-4-15-14(9-13)6-8-19-15/h3-4,9-10,12,17H,5-8H2,1-2H3
InChIKeyROOBUJMPVQTINU-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.28
Rot. Bonds5

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

1-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]ethanamine (PubChem CID 63238411) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]ethanamine
PubChem CID63238411
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]ethanamine
SMILESCc1csc(CCNC(C)c2ccc3c(c2)CCO3)n1
InChIInChI=1S/C16H20N2OS/c1-11-10-20-16(18-11)5-7-17-12(2)13-3-4-15-14(9-13)6-8-19-15/h3-4,9-10,12,17H,5-8H2,1-2H3
InChIKeyROOBUJMPVQTINU-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 54912981
1-(3,4-difluorophenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]ethanamine
CID 63238824
1-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(furan-2-yl)ethyl]ethanamine
CID 43776500
1-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(1-methylimidazol-2-yl)ethyl]ethanamine
CID 61212599
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-propan-2-yloxypropan-1-amine
CID 43771401
1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 103913494
1-(3-bromo-4-methoxyphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]ethanamine
CID 63238584
[4-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]hydrazine
CID 105214147
2-[2-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]ethoxy]ethanol
CID 43771488
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-ethylbutan-1-amine
CID 115718022
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine
CID 63242335
2-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]acetamide
CID 43754741

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]ethanamine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]ethanamine (CID 63238411) is 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]ethanamine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]ethanamine is Cc1csc(CCNC(C)c2ccc3c(c2)CCO3)n1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]ethanamine?
The InChIKey is ROOBUJMPVQTINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-11-10-20-16(18-11)5-7-17-12(2)13-3-4-15-14(9-13)6-8-19-15/h3-4,9-10,12,17H,5-8H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]ethanamine?
1-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]ethanamine has a molecular weight of 288.42 g/mol, XLogP of 3.28, 5 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-5-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]ethanamine is sourced from PubChem (CID 63238411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).