2-[4-(3-ethyl-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-N-methylpropan-1-amine

C17H20N2OS — CID 104513350

IUPAC2-[4-(3-ethyl-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-N-methylpropan-1-amine
SMILESCCc1c(-c2csc(C(C)CNC)n2)oc2ccccc12
InChIInChI=1S/C17H20N2OS/c1-4-12-13-7-5-6-8-15(13)20-16(12)14-10-21-17(19-14)11(2)9-18-3/h5-8,10-11,18H,4,9H2,1-3H3
InChIKeyNJFSJEXKPLSCHN-UHFFFAOYSA-N
MW300.43 g/mol
LogP4.44
Rot. Bonds5

About 2-[4-(3-ethyl-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-N-methylpropan-1-amine

2-[4-(3-ethyl-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-N-methylpropan-1-amine (PubChem CID 104513350) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is 2-[4-(3-ethyl-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-[4-(3-ethyl-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-N-methylpropan-1-amine
PubChem CID104513350
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name2-[4-(3-ethyl-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-N-methylpropan-1-amine
SMILESCCc1c(-c2csc(C(C)CNC)n2)oc2ccccc12
InChIInChI=1S/C17H20N2OS/c1-4-12-13-7-5-6-8-15(13)20-16(12)14-10-21-17(19-14)11(2)9-18-3/h5-8,10-11,18H,4,9H2,1-3H3
InChIKeyNJFSJEXKPLSCHN-UHFFFAOYSA-N
XLogP4.44
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(3-ethyl-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-N-methylpropan-1-amine 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

4-(3-ethyl-1-benzofuran-2-yl)-N-methyl-1,3-thiazol-2-amine
CID 62942165
1-[3-(3-ethyl-1-benzofuran-2-yl)-1H-pyrazol-5-yl]-N-methylmethanamine
CID 62111513
N-methyl-2-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]propan-1-amine
CID 104513360
6-(3-ethyl-1-benzofuran-2-yl)-3-methylimidazo[2,1-b][1,3]thiazole
CID 115403398
6-(3-ethyl-1-benzofuran-2-yl)-2-hydrazinylpyridine-3-carbonitrile
CID 62252280
1-(3-ethyl-1-benzofuran-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 61043837
1-(3-ethyl-1-benzofuran-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 61281276
4-(3-methyl-1-benzofuran-2-yl)-1,3-thiazol-2-amine
CID 8878295
2-[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]-N-methylpropan-1-amine
CID 114080620
5-(3-ethyl-1-benzofuran-2-yl)-N-propyl-1H-pyrazol-3-amine
CID 63529269
N-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)butan-1-amine
CID 116967539
1-(3-ethyl-1-benzofuran-2-yl)-2-(propylamino)ethanol
CID 10423975

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-ethyl-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-N-methylpropan-1-amine?
The IUPAC name of 2-[4-(3-ethyl-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-N-methylpropan-1-amine (CID 104513350) is 2-[4-(3-ethyl-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-N-methylpropan-1-amine.
What is the SMILES notation for 2-[4-(3-ethyl-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-N-methylpropan-1-amine?
The canonical SMILES for 2-[4-(3-ethyl-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-N-methylpropan-1-amine is CCc1c(-c2csc(C(C)CNC)n2)oc2ccccc12.
What is the InChIKey of 2-[4-(3-ethyl-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-N-methylpropan-1-amine?
The InChIKey is NJFSJEXKPLSCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-4-12-13-7-5-6-8-15(13)20-16(12)14-10-21-17(19-14)11(2)9-18-3/h5-8,10-11,18H,4,9H2,1-3H3.
What are the key properties of 2-[4-(3-ethyl-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-N-methylpropan-1-amine?
2-[4-(3-ethyl-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-N-methylpropan-1-amine has a molecular weight of 300.43 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-ethyl-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 104513350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).