N-(1-benzofuran-3-ylmethyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine

C16H18N2OS — CID 80701216

IUPACN-(1-benzofuran-3-ylmethyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
SMILESCc1nc(C)c(C(C)NCc2coc3ccccc23)s1
InChIInChI=1S/C16H18N2OS/c1-10(16-11(2)18-12(3)20-16)17-8-13-9-19-15-7-5-4-6-14(13)15/h4-7,9-10,17H,8H2,1-3H3
InChIKeyXDQHDWKQLRLEGO-UHFFFAOYSA-N
MW286.40 g/mol
LogP4.36
Rot. Bonds4

About N-(1-benzofuran-3-ylmethyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine

N-(1-benzofuran-3-ylmethyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine (PubChem CID 80701216) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is N-(1-benzofuran-3-ylmethyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-(1-benzofuran-3-ylmethyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
PubChem CID80701216
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC NameN-(1-benzofuran-3-ylmethyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
SMILESCc1nc(C)c(C(C)NCc2coc3ccccc23)s1
InChIInChI=1S/C16H18N2OS/c1-10(16-11(2)18-12(3)20-16)17-8-13-9-19-15-7-5-4-6-14(13)15/h4-7,9-10,17H,8H2,1-3H3
InChIKeyXDQHDWKQLRLEGO-UHFFFAOYSA-N
XLogP4.36
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-benzofuran-3-ylmethyl)-1-(2,4-dimethyl-1,3-thiazol-5-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

1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(quinolin-4-ylmethyl)ethanamine
CID 63851225
N-[(2-bromophenyl)methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
CID 61059932
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 55149649
N-(1-benzofuran-3-ylmethyl)-1-(5-methylthiophen-2-yl)propan-2-amine
CID 80703134
N-[(2-chloro-3-fluorophenyl)methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
CID 112651900
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(5-methylfuran-2-yl)methyl]ethanamine
CID 61060969
(1R)-N-(1-benzofuran-3-ylmethyl)-1-(4-bromophenyl)ethanamine
CID 81354686
N-[(2,5-dichlorophenyl)methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
CID 65315816
(1R)-N-(1-benzofuran-3-ylmethyl)-1-pyridin-3-ylethanamine
CID 81404411
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(pyridin-4-ylmethyl)ethanamine
CID 61060970
N-(1-benzofuran-3-ylmethyl)-1-cyclopropylethanamine
CID 79690307
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine
CID 62133520

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-3-ylmethyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine?
The IUPAC name of N-(1-benzofuran-3-ylmethyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine (CID 80701216) is N-(1-benzofuran-3-ylmethyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for N-(1-benzofuran-3-ylmethyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for N-(1-benzofuran-3-ylmethyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine is Cc1nc(C)c(C(C)NCc2coc3ccccc23)s1.
What is the InChIKey of N-(1-benzofuran-3-ylmethyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine?
The InChIKey is XDQHDWKQLRLEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-10(16-11(2)18-12(3)20-16)17-8-13-9-19-15-7-5-4-6-14(13)15/h4-7,9-10,17H,8H2,1-3H3.
What are the key properties of N-(1-benzofuran-3-ylmethyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine?
N-(1-benzofuran-3-ylmethyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine has a molecular weight of 286.40 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-3-ylmethyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 80701216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).