5-(1-aminoethyl)-3-methyl-1H-pyridine-2-thione

C8H12N2S — CID 102544992

IUPAC5-(1-aminoethyl)-3-methyl-1H-pyridine-2-thione
SMILESCc1cc(C(C)N)c[nH]c1=S
InChIInChI=1S/C8H12N2S/c1-5-3-7(6(2)9)4-10-8(5)11/h3-4,6H,9H2,1-2H3,(H,10,11)
InChIKeyQFGNVPNEWZAFDG-UHFFFAOYSA-N
MW168.26 g/mol
LogP2.07
Rot. Bonds1

About 5-(1-aminoethyl)-3-methyl-1H-pyridine-2-thione

5-(1-aminoethyl)-3-methyl-1H-pyridine-2-thione (PubChem CID 102544992) has the molecular formula C8H12N2S and a molecular weight of 168.26 g/mol. Its IUPAC name is 5-(1-aminoethyl)-3-methyl-1H-pyridine-2-thione.

Molecular Properties

Compound Name5-(1-aminoethyl)-3-methyl-1H-pyridine-2-thione
PubChem CID102544992
Molecular FormulaC8H12N2S
Molecular Weight168.26 g/mol
Exact Mass168.07
IUPAC Name5-(1-aminoethyl)-3-methyl-1H-pyridine-2-thione
SMILESCc1cc(C(C)N)c[nH]c1=S
InChIInChI=1S/C8H12N2S/c1-5-3-7(6(2)9)4-10-8(5)11/h3-4,6H,9H2,1-2H3,(H,10,11)
InChIKeyQFGNVPNEWZAFDG-UHFFFAOYSA-N
XLogP2.07
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,5-Dimethyl-1,2-dihydropyridine-2-thione
CID 18731626
2-Mercapto-4,5-dimethylpyridine
CID 20083038
3-Allyl-2-pyridinethiol
CID 67377238
4,6-Dimethyl-3-(aminomethyl)pyridine-2(1h)-thione
CID 12031211
4-Ethyl-1H-pyridine-2-thione
CID 15788422
5-Propan-2-yl-1H-pyridine-2-thione
CID 18779006
3,4-diethyl-1H-pyridine-2-thione
CID 20083032
3-ethyl-5-methyl-1H-pyridine-2-thione
CID 20083037
5-ethyl-3-methyl-1H-pyridine-2-thione
CID 20083043
3,5-diethyl-1H-pyridine-2-thione
CID 20083047
4,5-diethyl-1H-pyridine-2-thione
CID 20083049
5-ethyl-4-methyl-1H-pyridine-2-thione
CID 20083055

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminoethyl)-3-methyl-1H-pyridine-2-thione?
The IUPAC name of 5-(1-aminoethyl)-3-methyl-1H-pyridine-2-thione (CID 102544992) is 5-(1-aminoethyl)-3-methyl-1H-pyridine-2-thione.
What is the SMILES notation for 5-(1-aminoethyl)-3-methyl-1H-pyridine-2-thione?
The canonical SMILES for 5-(1-aminoethyl)-3-methyl-1H-pyridine-2-thione is Cc1cc(C(C)N)c[nH]c1=S.
What is the InChIKey of 5-(1-aminoethyl)-3-methyl-1H-pyridine-2-thione?
The InChIKey is QFGNVPNEWZAFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S/c1-5-3-7(6(2)9)4-10-8(5)11/h3-4,6H,9H2,1-2H3,(H,10,11).
What are the key properties of 5-(1-aminoethyl)-3-methyl-1H-pyridine-2-thione?
5-(1-aminoethyl)-3-methyl-1H-pyridine-2-thione has a molecular weight of 168.26 g/mol, XLogP of 2.07, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminoethyl)-3-methyl-1H-pyridine-2-thione is sourced from PubChem (CID 102544992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).