N-[2-(3,4-dimethoxyphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine

C13H18N2O2S — CID 2731061

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCOc1ccc(CCNC2=NCCS2)cc1OC
InChIInChI=1S/C13H18N2O2S/c1-16-11-4-3-10(9-12(11)17-2)5-6-14-13-15-7-8-18-13/h3-4,9H,5-8H2,1-2H3,(H,14,15)
InChIKeyGCTMZOOVTKJPJX-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.94
Rot. Bonds5

About N-[2-(3,4-dimethoxyphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine

N-[2-(3,4-dimethoxyphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 2731061) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID2731061
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCOc1ccc(CCNC2=NCCS2)cc1OC
InChIInChI=1S/C13H18N2O2S/c1-16-11-4-3-10(9-12(11)17-2)5-6-14-13-15-7-8-18-13/h3-4,9H,5-8H2,1-2H3,(H,14,15)
InChIKeyGCTMZOOVTKJPJX-UHFFFAOYSA-N
XLogP1.94
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(3,4-dimethoxyphenyl)ethyl]-4,5-dihydro-1,3-thiazol-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

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine (CID 2731061) is N-[2-(3,4-dimethoxyphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine is COc1ccc(CCNC2=NCCS2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is GCTMZOOVTKJPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-16-11-4-3-10(9-12(11)17-2)5-6-14-13-15-7-8-18-13/h3-4,9H,5-8H2,1-2H3,(H,14,15).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
N-[2-(3,4-dimethoxyphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 266.37 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 2731061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).