2-[2-(dimethylamino)ethoxy]-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]ethanamine

C12H23N3OS — CID 114127588

IUPAC2-[2-(dimethylamino)ethoxy]-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]ethanamine
SMILESCc1nc(CNCCOCCN(C)C)sc1C
InChIInChI=1S/C12H23N3OS/c1-10-11(2)17-12(14-10)9-13-5-7-16-8-6-15(3)4/h13H,5-9H2,1-4H3
InChIKeyITOFLZJOWHICRE-UHFFFAOYSA-N
MW257.40 g/mol
LogP1.43
Rot. Bonds8

About 2-[2-(dimethylamino)ethoxy]-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]ethanamine

2-[2-(dimethylamino)ethoxy]-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]ethanamine (PubChem CID 114127588) has the molecular formula C12H23N3OS and a molecular weight of 257.40 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethoxy]-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethoxy]-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]ethanamine
PubChem CID114127588
Molecular FormulaC12H23N3OS
Molecular Weight257.40 g/mol
Exact Mass257.16
IUPAC Name2-[2-(dimethylamino)ethoxy]-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]ethanamine
SMILESCc1nc(CNCCOCCN(C)C)sc1C
InChIInChI=1S/C12H23N3OS/c1-10-11(2)17-12(14-10)9-13-5-7-16-8-6-15(3)4/h13H,5-9H2,1-4H3
InChIKeyITOFLZJOWHICRE-UHFFFAOYSA-N
XLogP1.43
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[2-(dimethylamino)ethoxy]-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]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

3-[2-(4,5-Dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]propan-1-ol
CID 71986447
N-[(4,5-Dimethyl-1,3-thiazol-2-YL)methyl]-2-(2-methoxyethoxy)acetamide
CID 90649803
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 64539098
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 80306583
2-(2,2-difluoroethoxy)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 103081191
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103215957
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103215963
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
CID 103475327
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
CID 103475716
N-[[4-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 103476409
N-[[4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 103476410
N-[[4-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 103476411

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethoxy]-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]ethanamine?
The IUPAC name of 2-[2-(dimethylamino)ethoxy]-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]ethanamine (CID 114127588) is 2-[2-(dimethylamino)ethoxy]-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-[2-(dimethylamino)ethoxy]-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]ethanamine?
The canonical SMILES for 2-[2-(dimethylamino)ethoxy]-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]ethanamine is Cc1nc(CNCCOCCN(C)C)sc1C.
What is the InChIKey of 2-[2-(dimethylamino)ethoxy]-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]ethanamine?
The InChIKey is ITOFLZJOWHICRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3OS/c1-10-11(2)17-12(14-10)9-13-5-7-16-8-6-15(3)4/h13H,5-9H2,1-4H3.
What are the key properties of 2-[2-(dimethylamino)ethoxy]-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]ethanamine?
2-[2-(dimethylamino)ethoxy]-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]ethanamine has a molecular weight of 257.40 g/mol, XLogP of 1.43, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethoxy]-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 114127588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).