N'-(2-methoxyethyl)-N'-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine

C11H21N3OS — CID 78992604

IUPACN'-(2-methoxyethyl)-N'-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine
SMILESCOCCN(C)CCNCc1nc(C)cs1
InChIInChI=1S/C11H21N3OS/c1-10-9-16-11(13-10)8-12-4-5-14(2)6-7-15-3/h9,12H,4-8H2,1-3H3
InChIKeyCHLKJAUNAODEQA-UHFFFAOYSA-N
MW243.38 g/mol
LogP1.12
Rot. Bonds8

About N'-(2-methoxyethyl)-N'-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine

N'-(2-methoxyethyl)-N'-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine (PubChem CID 78992604) has the molecular formula C11H21N3OS and a molecular weight of 243.38 g/mol. Its IUPAC name is N'-(2-methoxyethyl)-N'-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-methoxyethyl)-N'-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine
PubChem CID78992604
Molecular FormulaC11H21N3OS
Molecular Weight243.38 g/mol
Exact Mass243.14
IUPAC NameN'-(2-methoxyethyl)-N'-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine
SMILESCOCCN(C)CCNCc1nc(C)cs1
InChIInChI=1S/C11H21N3OS/c1-10-9-16-11(13-10)8-12-4-5-14(2)6-7-15-3/h9,12H,4-8H2,1-3H3
InChIKeyCHLKJAUNAODEQA-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-methoxyethyl)-N'-methyl-N-(1,3-thiazol-5-ylmethyl)ethane-1,2-diamine
CID 62844142
2-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 80695663
4-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]-1,3-thiazole-2-carboxylic acid
CID 103249706
N',N'-diethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propane-1,3-diamine
CID 78992525
N-(2-methoxyethyl)-N'-methyl-N'-(4-methyl-1,3-thiazol-2-yl)ethane-1,2-diamine
CID 62585477
N-[(4-iodophenyl)methyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 65479419
methyl 4-[(4-methyl-1,3-thiazol-2-yl)methylamino]butanoate
CID 61043385
2-[3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propoxy]ethanol
CID 103992433
4-bromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butan-1-amine
CID 106844765
N-[(4-methyl-1,3-thiazol-2-yl)methyl]hexan-1-amine
CID 61042868
N'-(2-methoxyethyl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62448029
2-methoxy-N-[[2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-yl]methyl]ethanamine
CID 62795534

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxyethyl)-N'-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-(2-methoxyethyl)-N'-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine (CID 78992604) is N'-(2-methoxyethyl)-N'-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-(2-methoxyethyl)-N'-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-(2-methoxyethyl)-N'-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine is COCCN(C)CCNCc1nc(C)cs1.
What is the InChIKey of N'-(2-methoxyethyl)-N'-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine?
The InChIKey is CHLKJAUNAODEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3OS/c1-10-9-16-11(13-10)8-12-4-5-14(2)6-7-15-3/h9,12H,4-8H2,1-3H3.
What are the key properties of N'-(2-methoxyethyl)-N'-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine?
N'-(2-methoxyethyl)-N'-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine 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 N'-(2-methoxyethyl)-N'-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 78992604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).