6-(2-methoxyethoxy)-N-(thian-4-yl)pyridin-3-amine

C13H20N2O2S — CID 43688439

IUPAC6-(2-methoxyethoxy)-N-(thian-4-yl)pyridin-3-amine
SMILESCOCCOc1ccc(NC2CCSCC2)cn1
InChIInChI=1S/C13H20N2O2S/c1-16-6-7-17-13-3-2-12(10-14-13)15-11-4-8-18-9-5-11/h2-3,10-11,15H,4-9H2,1H3
InChIKeyXUEPLYSSICNARY-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.41
Rot. Bonds6

About 6-(2-methoxyethoxy)-N-(thian-4-yl)pyridin-3-amine

6-(2-methoxyethoxy)-N-(thian-4-yl)pyridin-3-amine (PubChem CID 43688439) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 6-(2-methoxyethoxy)-N-(thian-4-yl)pyridin-3-amine.

Molecular Properties

Compound Name6-(2-methoxyethoxy)-N-(thian-4-yl)pyridin-3-amine
PubChem CID43688439
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name6-(2-methoxyethoxy)-N-(thian-4-yl)pyridin-3-amine
SMILESCOCCOc1ccc(NC2CCSCC2)cn1
InChIInChI=1S/C13H20N2O2S/c1-16-6-7-17-13-3-2-12(10-14-13)15-11-4-8-18-9-5-11/h2-3,10-11,15H,4-9H2,1H3
InChIKeyXUEPLYSSICNARY-UHFFFAOYSA-N
XLogP2.41
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.41
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

1-N-[6-(2-methoxyethoxy)-3-pyridinyl]cyclobutane-1,3-diamine
CID 80559905
N-(1-cyclohexylethyl)-6-(2-methoxyethoxy)pyridin-3-amine
CID 43782133
6-methoxy-N-(thian-3-yl)pyridin-3-amine
CID 62873047
3-(cyclopropylamino)-N-[6-(2-methoxyethoxy)-3-pyridinyl]propanamide
CID 60867259
6-(2-methoxyethoxy)-N-prop-2-ynylpyridin-3-amine
CID 63951273
6-(2-methoxyethoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridin-3-amine
CID 115466148
N-(3,3-dimethylbutyl)-6-(2-methoxyethoxy)pyridin-3-amine
CID 62950387
N-[6-(2-methoxyethoxy)-3-pyridinyl]propane-1-sulfonamide
CID 64591758
6-(2-methoxyethoxy)-N-[1-(1-methylpiperidin-4-yl)ethyl]pyridin-3-amine
CID 43688309
6-(2-methoxyethoxy)-N-(thiadiazol-4-ylmethyl)pyridin-3-amine
CID 43688430
N-(4-ethoxyphenyl)thian-4-amine
CID 43394937
N'-tert-butyl-N-[6-(2-methoxyethoxy)-3-pyridinyl]ethane-1,2-diamine
CID 107444977

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyethoxy)-N-(thian-4-yl)pyridin-3-amine?
The IUPAC name of 6-(2-methoxyethoxy)-N-(thian-4-yl)pyridin-3-amine (CID 43688439) is 6-(2-methoxyethoxy)-N-(thian-4-yl)pyridin-3-amine.
What is the SMILES notation for 6-(2-methoxyethoxy)-N-(thian-4-yl)pyridin-3-amine?
The canonical SMILES for 6-(2-methoxyethoxy)-N-(thian-4-yl)pyridin-3-amine is COCCOc1ccc(NC2CCSCC2)cn1.
What is the InChIKey of 6-(2-methoxyethoxy)-N-(thian-4-yl)pyridin-3-amine?
The InChIKey is XUEPLYSSICNARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-16-6-7-17-13-3-2-12(10-14-13)15-11-4-8-18-9-5-11/h2-3,10-11,15H,4-9H2,1H3.
What are the key properties of 6-(2-methoxyethoxy)-N-(thian-4-yl)pyridin-3-amine?
6-(2-methoxyethoxy)-N-(thian-4-yl)pyridin-3-amine has a molecular weight of 268.38 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyethoxy)-N-(thian-4-yl)pyridin-3-amine is sourced from PubChem (CID 43688439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).