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

C11H21N3OS — CID 104931936

IUPAC2-[2-(dimethylamino)ethoxy]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
SMILESCc1nc(CNCCOCCN(C)C)cs1
InChIInChI=1S/C11H21N3OS/c1-10-13-11(9-16-10)8-12-4-6-15-7-5-14(2)3/h9,12H,4-8H2,1-3H3
InChIKeyHATIVZDHYIQYIG-UHFFFAOYSA-N
MW243.38 g/mol
LogP1.12
Rot. Bonds8

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

2-[2-(dimethylamino)ethoxy]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine (PubChem CID 104931936) has the molecular formula C11H21N3OS and a molecular weight of 243.38 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethoxy]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethoxy]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
PubChem CID104931936
Molecular FormulaC11H21N3OS
Molecular Weight243.38 g/mol
Exact Mass243.14
IUPAC Name2-[2-(dimethylamino)ethoxy]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
SMILESCc1nc(CNCCOCCN(C)C)cs1
InChIInChI=1S/C11H21N3OS/c1-10-13-11(9-16-10)8-12-4-6-15-7-5-14(2)3/h9,12H,4-8H2,1-3H3
InChIKeyHATIVZDHYIQYIG-UHFFFAOYSA-N
XLogP1.12
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propan-2-yloxyethanamine
CID 61485001
2-[2-(dimethylamino)ethoxy]-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 103080818
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-propoxypropan-1-amine
CID 82940582
2-[2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethoxy]acetamide
CID 106235728
2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl carbamate
CID 83211307
N'-butyl-N'-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine
CID 115623262
2-[2-(dimethylamino)ethoxy]-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 104931875
2-[2-(dimethylamino)ethoxy]-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 114127588
N-(2-butoxyethyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 106045200
3-methyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butane-1,3-diamine
CID 64677704
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 79261715
[4-[[2-[2-(dimethylamino)ethoxy]ethylamino]methyl]phenyl]methanol
CID 114127511

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethoxy]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine?
The IUPAC name of 2-[2-(dimethylamino)ethoxy]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine (CID 104931936) is 2-[2-(dimethylamino)ethoxy]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 2-[2-(dimethylamino)ethoxy]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine?
The canonical SMILES for 2-[2-(dimethylamino)ethoxy]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine is Cc1nc(CNCCOCCN(C)C)cs1.
What is the InChIKey of 2-[2-(dimethylamino)ethoxy]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine?
The InChIKey is HATIVZDHYIQYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3OS/c1-10-13-11(9-16-10)8-12-4-6-15-7-5-14(2)3/h9,12H,4-8H2,1-3H3.
What are the key properties of 2-[2-(dimethylamino)ethoxy]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine?
2-[2-(dimethylamino)ethoxy]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine has a molecular weight of 243.38 g/mol, XLogP of 1.12, 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-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 104931936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).