2-[2-(1-benzofuran-3-yl)-1,3-thiazol-4-yl]-N-methylethanamine

C14H14N2OS — CID 116888140

IUPAC2-[2-(1-benzofuran-3-yl)-1,3-thiazol-4-yl]-N-methylethanamine
SMILESCNCCc1csc(-c2coc3ccccc23)n1
InChIInChI=1S/C14H14N2OS/c1-15-7-6-10-9-18-14(16-10)12-8-17-13-5-3-2-4-11(12)13/h2-5,8-9,15H,6-7H2,1H3
InChIKeyCCZVFAMTDGZTGM-UHFFFAOYSA-N
MW258.35 g/mol
LogP3.32
Rot. Bonds4

About 2-[2-(1-benzofuran-3-yl)-1,3-thiazol-4-yl]-N-methylethanamine

2-[2-(1-benzofuran-3-yl)-1,3-thiazol-4-yl]-N-methylethanamine (PubChem CID 116888140) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is 2-[2-(1-benzofuran-3-yl)-1,3-thiazol-4-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[2-(1-benzofuran-3-yl)-1,3-thiazol-4-yl]-N-methylethanamine
PubChem CID116888140
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC Name2-[2-(1-benzofuran-3-yl)-1,3-thiazol-4-yl]-N-methylethanamine
SMILESCNCCc1csc(-c2coc3ccccc23)n1
InChIInChI=1S/C14H14N2OS/c1-15-7-6-10-9-18-14(16-10)12-8-17-13-5-3-2-4-11(12)13/h2-5,8-9,15H,6-7H2,1H3
InChIKeyCCZVFAMTDGZTGM-UHFFFAOYSA-N
XLogP3.32
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-(1-benzofuran-3-yl)-1,3-thiazol-4-yl]-N-methylethanamine 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

N-methyl-2-[2-(5-methylthiophen-2-yl)-1,3-thiazol-4-yl]ethanamine
CID 115089122
2-[2-(5-bromo-2-methylphenyl)-1,3-thiazol-4-yl]-N-methylethanamine
CID 116888139
2-[2-(5-bromofuran-2-yl)-1,3-thiazol-4-yl]-N-methylethanamine
CID 115089119
2-[2-(5-chlorofuran-2-yl)-1,3-thiazol-4-yl]-N-methylethanamine
CID 115089115
3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methylpropan-1-amine
CID 115089531
2-[2-(2,5-difluorophenyl)-1,3-thiazol-4-yl]-N-methylethanamine
CID 114275577
2-[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]-N-methylethanamine
CID 116888128
2-amino-2-[2-(1-benzofuran-3-yl)-1,3-thiazol-4-yl]acetic acid
CID 104527113
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylethanamine
CID 116888129
4-(1-benzofuran-3-yl)-2-(chloromethyl)-1,3-thiazole
CID 116867872
2-hydroxypropane-1,2,3-tricarboxylate;N-methyl-2-(2-phenyl-1,3-thiazol-4-yl)ethanamine
CID 6367050
3-[2-(2,5-dimethylphenyl)-1,3-thiazol-4-yl]-N-methylpropan-1-amine
CID 116888293

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-benzofuran-3-yl)-1,3-thiazol-4-yl]-N-methylethanamine?
The IUPAC name of 2-[2-(1-benzofuran-3-yl)-1,3-thiazol-4-yl]-N-methylethanamine (CID 116888140) is 2-[2-(1-benzofuran-3-yl)-1,3-thiazol-4-yl]-N-methylethanamine.
What is the SMILES notation for 2-[2-(1-benzofuran-3-yl)-1,3-thiazol-4-yl]-N-methylethanamine?
The canonical SMILES for 2-[2-(1-benzofuran-3-yl)-1,3-thiazol-4-yl]-N-methylethanamine is CNCCc1csc(-c2coc3ccccc23)n1.
What is the InChIKey of 2-[2-(1-benzofuran-3-yl)-1,3-thiazol-4-yl]-N-methylethanamine?
The InChIKey is CCZVFAMTDGZTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS/c1-15-7-6-10-9-18-14(16-10)12-8-17-13-5-3-2-4-11(12)13/h2-5,8-9,15H,6-7H2,1H3.
What are the key properties of 2-[2-(1-benzofuran-3-yl)-1,3-thiazol-4-yl]-N-methylethanamine?
2-[2-(1-benzofuran-3-yl)-1,3-thiazol-4-yl]-N-methylethanamine has a molecular weight of 258.35 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-benzofuran-3-yl)-1,3-thiazol-4-yl]-N-methylethanamine is sourced from PubChem (CID 116888140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).