N'-(2-methoxyethyl)-N'-methyl-N-(1,3-thiazol-5-ylmethyl)ethane-1,2-diamine

C10H19N3OS — CID 62844142

IUPACN'-(2-methoxyethyl)-N'-methyl-N-(1,3-thiazol-5-ylmethyl)ethane-1,2-diamine
SMILESCOCCN(C)CCNCc1cncs1
InChIInChI=1S/C10H19N3OS/c1-13(5-6-14-2)4-3-11-7-10-8-12-9-15-10/h8-9,11H,3-7H2,1-2H3
InChIKeyRHOLHUWPUPPYMY-UHFFFAOYSA-N
MW229.35 g/mol
LogP0.81
Rot. Bonds8

About N'-(2-methoxyethyl)-N'-methyl-N-(1,3-thiazol-5-ylmethyl)ethane-1,2-diamine

N'-(2-methoxyethyl)-N'-methyl-N-(1,3-thiazol-5-ylmethyl)ethane-1,2-diamine (PubChem CID 62844142) has the molecular formula C10H19N3OS and a molecular weight of 229.35 g/mol. Its IUPAC name is N'-(2-methoxyethyl)-N'-methyl-N-(1,3-thiazol-5-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-methoxyethyl)-N'-methyl-N-(1,3-thiazol-5-ylmethyl)ethane-1,2-diamine
PubChem CID62844142
Molecular FormulaC10H19N3OS
Molecular Weight229.35 g/mol
Exact Mass229.12
IUPAC NameN'-(2-methoxyethyl)-N'-methyl-N-(1,3-thiazol-5-ylmethyl)ethane-1,2-diamine
SMILESCOCCN(C)CCNCc1cncs1
InChIInChI=1S/C10H19N3OS/c1-13(5-6-14-2)4-3-11-7-10-8-12-9-15-10/h8-9,11H,3-7H2,1-2H3
InChIKeyRHOLHUWPUPPYMY-UHFFFAOYSA-N
XLogP0.81
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 50.81
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',N'-dimethyl-N-(1,3-thiazol-5-ylmethyl)ethane-1,2-diamine
CID 62758290
N'-(2-methoxyethyl)-N'-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine
CID 78992604
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62923091
N-(1H-imidazol-5-ylmethyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62844313
N'-(2-methoxyethyl)-N'-methyl-N-[(4-phenylthiophen-2-yl)methyl]ethane-1,2-diamine
CID 62844842
2-ethoxy-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 62759622
N-[(4-iodophenyl)methyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 65479419
N'-ethyl-N'-propyl-N-(1,3-thiazol-5-ylmethyl)ethane-1,2-diamine
CID 115732705
5-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]thiophene-2-carboxylic acid
CID 103249681
N-[(4-ethylphenyl)methyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62844461
N-(isoquinolin-4-ylmethyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 115748378
4-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]-1,3-thiazole-2-carboxylic acid
CID 103249706

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxyethyl)-N'-methyl-N-(1,3-thiazol-5-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-(2-methoxyethyl)-N'-methyl-N-(1,3-thiazol-5-ylmethyl)ethane-1,2-diamine (CID 62844142) is N'-(2-methoxyethyl)-N'-methyl-N-(1,3-thiazol-5-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-methoxyethyl)-N'-methyl-N-(1,3-thiazol-5-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-methoxyethyl)-N'-methyl-N-(1,3-thiazol-5-ylmethyl)ethane-1,2-diamine is COCCN(C)CCNCc1cncs1.
What is the InChIKey of N'-(2-methoxyethyl)-N'-methyl-N-(1,3-thiazol-5-ylmethyl)ethane-1,2-diamine?
The InChIKey is RHOLHUWPUPPYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS/c1-13(5-6-14-2)4-3-11-7-10-8-12-9-15-10/h8-9,11H,3-7H2,1-2H3.
What are the key properties of N'-(2-methoxyethyl)-N'-methyl-N-(1,3-thiazol-5-ylmethyl)ethane-1,2-diamine?
N'-(2-methoxyethyl)-N'-methyl-N-(1,3-thiazol-5-ylmethyl)ethane-1,2-diamine has a molecular weight of 229.35 g/mol, XLogP of 0.81, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxyethyl)-N'-methyl-N-(1,3-thiazol-5-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 62844142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).