2-methoxy-6-(thian-4-yl)pyridin-3-amine

C11H16N2OS — CID 115034695

IUPAC2-methoxy-6-(thian-4-yl)pyridin-3-amine
SMILESCOc1nc(C2CCSCC2)ccc1N
InChIInChI=1S/C11H16N2OS/c1-14-11-9(12)2-3-10(13-11)8-4-6-15-7-5-8/h2-3,8H,4-7,12H2,1H3
InChIKeyZPKIOWRHSKPRBV-UHFFFAOYSA-N
MW224.33 g/mol
LogP2.28
Rot. Bonds2

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

2-methoxy-6-(thian-4-yl)pyridin-3-amine (PubChem CID 115034695) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 2-methoxy-6-(thian-4-yl)pyridin-3-amine.

Molecular Properties

Compound Name2-methoxy-6-(thian-4-yl)pyridin-3-amine
PubChem CID115034695
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name2-methoxy-6-(thian-4-yl)pyridin-3-amine
SMILESCOc1nc(C2CCSCC2)ccc1N
InChIInChI=1S/C11H16N2OS/c1-14-11-9(12)2-3-10(13-11)8-4-6-15-7-5-8/h2-3,8H,4-7,12H2,1H3
InChIKeyZPKIOWRHSKPRBV-UHFFFAOYSA-N
XLogP2.28
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-(thian-4-yl)pyridin-3-amine?
The IUPAC name of 2-methoxy-6-(thian-4-yl)pyridin-3-amine (CID 115034695) is 2-methoxy-6-(thian-4-yl)pyridin-3-amine.
What is the SMILES notation for 2-methoxy-6-(thian-4-yl)pyridin-3-amine?
The canonical SMILES for 2-methoxy-6-(thian-4-yl)pyridin-3-amine is COc1nc(C2CCSCC2)ccc1N.
What is the InChIKey of 2-methoxy-6-(thian-4-yl)pyridin-3-amine?
The InChIKey is ZPKIOWRHSKPRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-14-11-9(12)2-3-10(13-11)8-4-6-15-7-5-8/h2-3,8H,4-7,12H2,1H3.
What are the key properties of 2-methoxy-6-(thian-4-yl)pyridin-3-amine?
2-methoxy-6-(thian-4-yl)pyridin-3-amine has a molecular weight of 224.33 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-(thian-4-yl)pyridin-3-amine is sourced from PubChem (CID 115034695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).