2-[2,5-dimethoxy-4-(1,3-thiazolidin-3-yl)phenyl]ethanamine

C13H20N2O2S — CID 171534609

IUPAC2-[2,5-dimethoxy-4-(1,3-thiazolidin-3-yl)phenyl]ethanamine
SMILESCOc1cc(N2CCSC2)c(OC)cc1CCN
InChIInChI=1S/C13H20N2O2S/c1-16-12-8-11(15-5-6-18-9-15)13(17-2)7-10(12)3-4-14/h7-8H,3-6,9,14H2,1-2H3
InChIKeyIPORPXUPPGUEQU-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.72
Rot. Bonds5

About 2-[2,5-dimethoxy-4-(1,3-thiazolidin-3-yl)phenyl]ethanamine

2-[2,5-dimethoxy-4-(1,3-thiazolidin-3-yl)phenyl]ethanamine (PubChem CID 171534609) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-[2,5-dimethoxy-4-(1,3-thiazolidin-3-yl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[2,5-dimethoxy-4-(1,3-thiazolidin-3-yl)phenyl]ethanamine
PubChem CID171534609
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name2-[2,5-dimethoxy-4-(1,3-thiazolidin-3-yl)phenyl]ethanamine
SMILESCOc1cc(N2CCSC2)c(OC)cc1CCN
InChIInChI=1S/C13H20N2O2S/c1-16-12-8-11(15-5-6-18-9-15)13(17-2)7-10(12)3-4-14/h7-8H,3-6,9,14H2,1-2H3
InChIKeyIPORPXUPPGUEQU-UHFFFAOYSA-N
XLogP1.72
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2,5-dimethoxy-4-(1,3-thiazolidin-3-yl)phenyl]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

2-(4-imidazolidin-1-yl-2,5-dimethoxyphenyl)ethanamine
CID 171534506
3-(2,5-dimethoxy-4-piperidin-1-ylphenyl)propan-1-amine
CID 117446608
2-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)ethanol
CID 117381555
2-(4-fluoro-3,6-dimethoxy(213C)cyclohexa-1,3,5-trien-1-yl)ethanamine
CID 71493307
2-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)-N-methylethanamine
CID 117415704
2,5-bis(2-aminoethyl)-4-methoxyphenol
CID 117274744
2-[2,5-dimethoxy-4-(2,2,2-trifluoroethyl)phenyl]ethanamine
CID 57498513
2-(4-ethyl-2-methoxy-5-methylsulfanylphenyl)ethanamine
CID 15915366
4-(2,5-dimethoxy-4-piperidin-1-ylphenyl)butanoic acid
CID 117492352
2-(5-fluoro-2-methoxy-4-methylphenyl)ethanamine
CID 55254656
2-(4-cyclopropylsulfanyl-3,6-dimethoxy(213C)cyclohexa-1,3,5-trien-1-yl)ethanamine
CID 71493482
1-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)-N-methoxymethanamine
CID 117420098

Frequently Asked Questions

What is the IUPAC name of 2-[2,5-dimethoxy-4-(1,3-thiazolidin-3-yl)phenyl]ethanamine?
The IUPAC name of 2-[2,5-dimethoxy-4-(1,3-thiazolidin-3-yl)phenyl]ethanamine (CID 171534609) is 2-[2,5-dimethoxy-4-(1,3-thiazolidin-3-yl)phenyl]ethanamine.
What is the SMILES notation for 2-[2,5-dimethoxy-4-(1,3-thiazolidin-3-yl)phenyl]ethanamine?
The canonical SMILES for 2-[2,5-dimethoxy-4-(1,3-thiazolidin-3-yl)phenyl]ethanamine is COc1cc(N2CCSC2)c(OC)cc1CCN.
What is the InChIKey of 2-[2,5-dimethoxy-4-(1,3-thiazolidin-3-yl)phenyl]ethanamine?
The InChIKey is IPORPXUPPGUEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-16-12-8-11(15-5-6-18-9-15)13(17-2)7-10(12)3-4-14/h7-8H,3-6,9,14H2,1-2H3.
What are the key properties of 2-[2,5-dimethoxy-4-(1,3-thiazolidin-3-yl)phenyl]ethanamine?
2-[2,5-dimethoxy-4-(1,3-thiazolidin-3-yl)phenyl]ethanamine has a molecular weight of 268.38 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,5-dimethoxy-4-(1,3-thiazolidin-3-yl)phenyl]ethanamine is sourced from PubChem (CID 171534609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).