N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine

C16H20N2OS — CID 63612015

IUPACN-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
SMILESCC(NCc1ccc2c(c1)CC(C)(C)O2)c1nccs1
InChIInChI=1S/C16H20N2OS/c1-11(15-17-6-7-20-15)18-10-12-4-5-14-13(8-12)9-16(2,3)19-14/h4-8,11,18H,9-10H2,1-3H3
InChIKeyYTDFAVQZBGSIRJ-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.71
Rot. Bonds4

About N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine

N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine (PubChem CID 63612015) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
PubChem CID63612015
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC NameN-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
SMILESCC(NCc1ccc2c(c1)CC(C)(C)O2)c1nccs1
InChIInChI=1S/C16H20N2OS/c1-11(15-17-6-7-20-15)18-10-12-4-5-14-13(8-12)9-16(2,3)19-14/h4-8,11,18H,9-10H2,1-3H3
InChIKeyYTDFAVQZBGSIRJ-UHFFFAOYSA-N
XLogP3.71
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-(1,3-thiazol-2-yl)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

N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-methylpropan-2-amine
CID 63270797
N-[(3,4-dimethylphenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 63599165
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]but-3-en-2-amine
CID 113254593
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]but-3-yn-2-amine
CID 114415329
N-[(3,4-dimethoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 63599693
N-[(3-fluoro-4-methylphenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 63867557
2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]-N-methylpropanamide
CID 63270938
2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]-3-methylbutanoic acid
CID 63271115
(1R)-N-(pyridin-4-ylmethyl)-1-(1,3-thiazol-2-yl)ethanamine
CID 95366218
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]hydroxylamine
CID 82684913
N-[[2-(aminomethyl)-4-pyridinyl]methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 114326972
N-[(3-chloro-4-fluorophenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 64990503

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine?
The IUPAC name of N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine (CID 63612015) is N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine is CC(NCc1ccc2c(c1)CC(C)(C)O2)c1nccs1.
What is the InChIKey of N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine?
The InChIKey is YTDFAVQZBGSIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-11(15-17-6-7-20-15)18-10-12-4-5-14-13(8-12)9-16(2,3)19-14/h4-8,11,18H,9-10H2,1-3H3.
What are the key properties of N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine?
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine has a molecular weight of 288.42 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 63612015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).