N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-6-(2-methoxyethoxy)pyridin-3-amine

C15H21N3O2S — CID 43688296

IUPACN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-6-(2-methoxyethoxy)pyridin-3-amine
SMILESCOCCOc1ccc(NC(C)c2nc(C)sc2C)cn1
InChIInChI=1S/C15H21N3O2S/c1-10(15-11(2)21-12(3)18-15)17-13-5-6-14(16-9-13)20-8-7-19-4/h5-6,9-10,17H,7-8H2,1-4H3
InChIKeyWGFGSEVNXUOVOI-UHFFFAOYSA-N
MW307.42 g/mol
LogP3.35
Rot. Bonds7

About N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-6-(2-methoxyethoxy)pyridin-3-amine

N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-6-(2-methoxyethoxy)pyridin-3-amine (PubChem CID 43688296) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-6-(2-methoxyethoxy)pyridin-3-amine.

Molecular Properties

Compound NameN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-6-(2-methoxyethoxy)pyridin-3-amine
PubChem CID43688296
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC NameN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-6-(2-methoxyethoxy)pyridin-3-amine
SMILESCOCCOc1ccc(NC(C)c2nc(C)sc2C)cn1
InChIInChI=1S/C15H21N3O2S/c1-10(15-11(2)21-12(3)18-15)17-13-5-6-14(16-9-13)20-8-7-19-4/h5-6,9-10,17H,7-8H2,1-4H3
InChIKeyWGFGSEVNXUOVOI-UHFFFAOYSA-N
XLogP3.35
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-(2-methoxyethoxy)-N-(1-thiophen-2-ylethyl)pyridin-3-amine
CID 43688399
6-(2-methoxyethoxy)-N-[1-(2-methylpyrazol-3-yl)ethyl]pyridin-3-amine
CID 106757206
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-(2-methoxyethoxy)pyridin-3-amine
CID 43688441
N-(1-cyclohexylethyl)-6-(2-methoxyethoxy)pyridin-3-amine
CID 43782133
6-(2-methoxyethoxy)-N-(3-methylbutyl)pyridin-3-amine
CID 43688362
6-(2-methoxyethoxy)-N-octan-2-ylpyridin-3-amine
CID 43688384
6-(2-methoxyethoxy)-N-[1-(1-methylpiperidin-4-yl)ethyl]pyridin-3-amine
CID 43688309
N'-tert-butyl-N-[6-(2-methoxyethoxy)-3-pyridinyl]ethane-1,2-diamine
CID 107444977
2-amino-N-[6-(2-methoxyethoxy)-3-pyridinyl]propanamide
CID 43704147
N-[4-(furan-2-yl)butan-2-yl]-6-(2-methoxyethoxy)pyridin-3-amine
CID 43688437
6-(2-methoxyethoxy)-N-prop-2-ynylpyridin-3-amine
CID 63951273
N-(3,3-dimethylbutyl)-6-(2-methoxyethoxy)pyridin-3-amine
CID 62950387

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-6-(2-methoxyethoxy)pyridin-3-amine?
The IUPAC name of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-6-(2-methoxyethoxy)pyridin-3-amine (CID 43688296) is N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-6-(2-methoxyethoxy)pyridin-3-amine.
What is the SMILES notation for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-6-(2-methoxyethoxy)pyridin-3-amine?
The canonical SMILES for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-6-(2-methoxyethoxy)pyridin-3-amine is COCCOc1ccc(NC(C)c2nc(C)sc2C)cn1.
What is the InChIKey of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-6-(2-methoxyethoxy)pyridin-3-amine?
The InChIKey is WGFGSEVNXUOVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-10(15-11(2)21-12(3)18-15)17-13-5-6-14(16-9-13)20-8-7-19-4/h5-6,9-10,17H,7-8H2,1-4H3.
What are the key properties of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-6-(2-methoxyethoxy)pyridin-3-amine?
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-6-(2-methoxyethoxy)pyridin-3-amine has a molecular weight of 307.42 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-6-(2-methoxyethoxy)pyridin-3-amine is sourced from PubChem (CID 43688296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).