1-(2-amino-5-methyl-3-pyridinyl)-2-ethylsulfanylethanone

C10H14N2OS — CID 65130731

IUPAC1-(2-amino-5-methyl-3-pyridinyl)-2-ethylsulfanylethanone
SMILESCCSCC(=O)c1cc(C)cnc1N
InChIInChI=1S/C10H14N2OS/c1-3-14-6-9(13)8-4-7(2)5-12-10(8)11/h4-5H,3,6H2,1-2H3,(H2,11,12)
InChIKeyRLTHOTLEMPPZNP-UHFFFAOYSA-N
MW210.30 g/mol
LogP1.91
Rot. Bonds4

About 1-(2-amino-5-methyl-3-pyridinyl)-2-ethylsulfanylethanone

1-(2-amino-5-methyl-3-pyridinyl)-2-ethylsulfanylethanone (PubChem CID 65130731) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is 1-(2-amino-5-methyl-3-pyridinyl)-2-ethylsulfanylethanone.

Molecular Properties

Compound Name1-(2-amino-5-methyl-3-pyridinyl)-2-ethylsulfanylethanone
PubChem CID65130731
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name1-(2-amino-5-methyl-3-pyridinyl)-2-ethylsulfanylethanone
SMILESCCSCC(=O)c1cc(C)cnc1N
InChIInChI=1S/C10H14N2OS/c1-3-14-6-9(13)8-4-7(2)5-12-10(8)11/h4-5H,3,6H2,1-2H3,(H2,11,12)
InChIKeyRLTHOTLEMPPZNP-UHFFFAOYSA-N
XLogP1.91
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-methyl-3-pyridinyl)-2-ethylsulfanylethanone?
The IUPAC name of 1-(2-amino-5-methyl-3-pyridinyl)-2-ethylsulfanylethanone (CID 65130731) is 1-(2-amino-5-methyl-3-pyridinyl)-2-ethylsulfanylethanone.
What is the SMILES notation for 1-(2-amino-5-methyl-3-pyridinyl)-2-ethylsulfanylethanone?
The canonical SMILES for 1-(2-amino-5-methyl-3-pyridinyl)-2-ethylsulfanylethanone is CCSCC(=O)c1cc(C)cnc1N.
What is the InChIKey of 1-(2-amino-5-methyl-3-pyridinyl)-2-ethylsulfanylethanone?
The InChIKey is RLTHOTLEMPPZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-3-14-6-9(13)8-4-7(2)5-12-10(8)11/h4-5H,3,6H2,1-2H3,(H2,11,12).
What are the key properties of 1-(2-amino-5-methyl-3-pyridinyl)-2-ethylsulfanylethanone?
1-(2-amino-5-methyl-3-pyridinyl)-2-ethylsulfanylethanone has a molecular weight of 210.30 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-methyl-3-pyridinyl)-2-ethylsulfanylethanone is sourced from PubChem (CID 65130731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).