1-[3-(methoxymethyl)phenyl]-N-(1,3-thiazol-2-ylmethyl)methanamine

C13H16N2OS — CID 63001689

IUPAC1-[3-(methoxymethyl)phenyl]-N-(1,3-thiazol-2-ylmethyl)methanamine
SMILESCOCc1cccc(CNCc2nccs2)c1
InChIInChI=1S/C13H16N2OS/c1-16-10-12-4-2-3-11(7-12)8-14-9-13-15-5-6-17-13/h2-7,14H,8-10H2,1H3
InChIKeyHDQYMAQSGWCEJT-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.58
Rot. Bonds6

About 1-[3-(methoxymethyl)phenyl]-N-(1,3-thiazol-2-ylmethyl)methanamine

1-[3-(methoxymethyl)phenyl]-N-(1,3-thiazol-2-ylmethyl)methanamine (PubChem CID 63001689) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 1-[3-(methoxymethyl)phenyl]-N-(1,3-thiazol-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[3-(methoxymethyl)phenyl]-N-(1,3-thiazol-2-ylmethyl)methanamine
PubChem CID63001689
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name1-[3-(methoxymethyl)phenyl]-N-(1,3-thiazol-2-ylmethyl)methanamine
SMILESCOCc1cccc(CNCc2nccs2)c1
InChIInChI=1S/C13H16N2OS/c1-16-10-12-4-2-3-11(7-12)8-14-9-13-15-5-6-17-13/h2-7,14H,8-10H2,1H3
InChIKeyHDQYMAQSGWCEJT-UHFFFAOYSA-N
XLogP2.58
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-(methoxymethyl)phenyl]-N-(1,3-thiazol-2-ylmethyl)methanamine 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-phenyl-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 4777619
1-(3-phenoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 60960731
3-[(1,3-thiazol-2-ylmethylamino)methyl]benzonitrile
CID 60960478
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 55031559
1-[3-(methoxymethyl)phenyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 54896552
N-[[3-(methoxymethyl)phenyl]methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 79032921
1-[3-(methoxymethyl)phenyl]-2-(1,3-thiazol-2-yl)ethanol
CID 79823661
N-[(3,5-dichlorophenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 61003276
N-methyl-1-[3-(1,3-thiazol-2-ylmethyl)phenyl]methanamine
CID 79824844
N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 78902256
1-[3-(methoxymethyl)phenyl]-N-(1,2-oxazol-4-ylmethyl)methanamine
CID 54896316
2-[[3-(methoxymethyl)phenyl]methylamino]ethanol
CID 61004164

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methoxymethyl)phenyl]-N-(1,3-thiazol-2-ylmethyl)methanamine?
The IUPAC name of 1-[3-(methoxymethyl)phenyl]-N-(1,3-thiazol-2-ylmethyl)methanamine (CID 63001689) is 1-[3-(methoxymethyl)phenyl]-N-(1,3-thiazol-2-ylmethyl)methanamine.
What is the SMILES notation for 1-[3-(methoxymethyl)phenyl]-N-(1,3-thiazol-2-ylmethyl)methanamine?
The canonical SMILES for 1-[3-(methoxymethyl)phenyl]-N-(1,3-thiazol-2-ylmethyl)methanamine is COCc1cccc(CNCc2nccs2)c1.
What is the InChIKey of 1-[3-(methoxymethyl)phenyl]-N-(1,3-thiazol-2-ylmethyl)methanamine?
The InChIKey is HDQYMAQSGWCEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-16-10-12-4-2-3-11(7-12)8-14-9-13-15-5-6-17-13/h2-7,14H,8-10H2,1H3.
What are the key properties of 1-[3-(methoxymethyl)phenyl]-N-(1,3-thiazol-2-ylmethyl)methanamine?
1-[3-(methoxymethyl)phenyl]-N-(1,3-thiazol-2-ylmethyl)methanamine has a molecular weight of 248.35 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methoxymethyl)phenyl]-N-(1,3-thiazol-2-ylmethyl)methanamine is sourced from PubChem (CID 63001689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).