N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-5-yl]methyl]butan-2-amine

C16H22N2OS — CID 82422743

IUPACN-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-5-yl]methyl]butan-2-amine
SMILESCCC(C)NCc1cnc(COc2ccccc2C)s1
InChIInChI=1S/C16H22N2OS/c1-4-13(3)17-9-14-10-18-16(20-14)11-19-15-8-6-5-7-12(15)2/h5-8,10,13,17H,4,9,11H2,1-3H3
InChIKeyYCEPPFQCGHTGPL-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.92
Rot. Bonds7

About N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-5-yl]methyl]butan-2-amine

N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-5-yl]methyl]butan-2-amine (PubChem CID 82422743) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-5-yl]methyl]butan-2-amine.

Molecular Properties

Compound NameN-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-5-yl]methyl]butan-2-amine
PubChem CID82422743
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC NameN-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-5-yl]methyl]butan-2-amine
SMILESCCC(C)NCc1cnc(COc2ccccc2C)s1
InChIInChI=1S/C16H22N2OS/c1-4-13(3)17-9-14-10-18-16(20-14)11-19-15-8-6-5-7-12(15)2/h5-8,10,13,17H,4,9,11H2,1-3H3
InChIKeyYCEPPFQCGHTGPL-UHFFFAOYSA-N
XLogP3.92
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-5-yl]methyl]butan-2-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

N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82422739
[2-[(2-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanol
CID 82190879
N-[[2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 82422922
(1S)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(2-methylphenyl)ethanamine
CID 81374720
N-[[2-[(2-chlorophenoxy)methyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 82190967
N-[[2-(diethylaminomethyl)-1,3-thiazol-5-yl]methyl]butan-2-amine
CID 82424643
(1S)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 81397300
N-[[2-(2-chlorophenyl)-1,3-thiazol-5-yl]methyl]butan-2-amine
CID 82422506
2-[(2-methylphenoxy)methyl]-1,3-thiazole-5-carbothioamide
CID 82422746
N-[[2-[2-(2,6-dimethylphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 82423927
(2R)-1-[[(2R)-butan-2-yl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 27319633
N-[[4-methyl-2-(phenoxymethyl)-1,3-thiazol-5-yl]methyl]butan-2-amine
CID 82425948

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-5-yl]methyl]butan-2-amine?
The IUPAC name of N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-5-yl]methyl]butan-2-amine (CID 82422743) is N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-5-yl]methyl]butan-2-amine.
What is the SMILES notation for N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-5-yl]methyl]butan-2-amine?
The canonical SMILES for N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-5-yl]methyl]butan-2-amine is CCC(C)NCc1cnc(COc2ccccc2C)s1.
What is the InChIKey of N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-5-yl]methyl]butan-2-amine?
The InChIKey is YCEPPFQCGHTGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-4-13(3)17-9-14-10-18-16(20-14)11-19-15-8-6-5-7-12(15)2/h5-8,10,13,17H,4,9,11H2,1-3H3.
What are the key properties of N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-5-yl]methyl]butan-2-amine?
N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-5-yl]methyl]butan-2-amine has a molecular weight of 290.43 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-5-yl]methyl]butan-2-amine is sourced from PubChem (CID 82422743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).