N-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanamine

C22H27N3O2S — CID 119108501

IUPACN-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanamine
SMILESCOc1ccc(OCc2ccccn2)c(CNCCc2csc(C(C)C)n2)c1
InChIInChI=1S/C22H27N3O2S/c1-16(2)22-25-19(15-28-22)9-11-23-13-17-12-20(26-3)7-8-21(17)27-14-18-6-4-5-10-24-18/h4-8,10,12,15-16,23H,9,11,13-14H2,1-3H3
InChIKeyXJGQBUOAHXGCBC-UHFFFAOYSA-N
MW397.54 g/mol
LogP4.58
Rot. Bonds10

About N-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanamine

N-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanamine (PubChem CID 119108501) has the molecular formula C22H27N3O2S and a molecular weight of 397.54 g/mol. Its IUPAC name is N-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanamine
PubChem CID119108501
Molecular FormulaC22H27N3O2S
Molecular Weight397.54 g/mol
Exact Mass397.18
IUPAC NameN-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanamine
SMILESCOc1ccc(OCc2ccccn2)c(CNCCc2csc(C(C)C)n2)c1
InChIInChI=1S/C22H27N3O2S/c1-16(2)22-25-19(15-28-22)9-11-23-13-17-12-20(26-3)7-8-21(17)27-14-18-6-4-5-10-24-18/h4-8,10,12,15-16,23H,9,11,13-14H2,1-3H3
InChIKeyXJGQBUOAHXGCBC-UHFFFAOYSA-N
XLogP4.58
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.54
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]-2-(2-propan-2-yl-1,3-thiazol-4-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-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 119129654
N-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 43276444
2-ethylsulfonyl-N-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]ethanamine
CID 119112492
4-[(2-bromo-4-methoxyphenoxy)methyl]-2-propan-2-yl-1,3-thiazole
CID 104704731
4-[2-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methylamino]propyl]phenol
CID 119122680
N-[(2-fluoro-4-methoxyphenyl)methyl]-2-pyridin-2-ylethanamine
CID 102876230
N-[[5-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-pyridin-2-ylethanamine
CID 53271885
5-methoxy-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]benzoic acid
CID 61037478
4-[(3-fluoro-4-methoxyphenoxy)methyl]-2-propan-2-yl-1,3-thiazole
CID 86850292
N-[[5-bromo-2-(pyridin-2-ylmethoxy)phenyl]methyl]-2-methoxyethanamine
CID 60712933
1-[3-methoxy-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine
CID 61487675
[2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
CID 54956681

Frequently Asked Questions

What is the IUPAC name of N-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanamine?
The IUPAC name of N-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanamine (CID 119108501) is N-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for N-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for N-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanamine is COc1ccc(OCc2ccccn2)c(CNCCc2csc(C(C)C)n2)c1.
What is the InChIKey of N-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanamine?
The InChIKey is XJGQBUOAHXGCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2S/c1-16(2)22-25-19(15-28-22)9-11-23-13-17-12-20(26-3)7-8-21(17)27-14-18-6-4-5-10-24-18/h4-8,10,12,15-16,23H,9,11,13-14H2,1-3H3.
What are the key properties of N-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanamine?
N-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanamine has a molecular weight of 397.54 g/mol, XLogP of 4.58, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 119108501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).