5-amino-3H-pyridine-2-thione

C5H6N2S — CID 57194529

IUPAC5-amino-3H-pyridine-2-thione
SMILESNC1=CCC(=S)N=C1
InChIInChI=1S/C5H6N2S/c6-4-1-2-5(8)7-3-4/h1,3H,2,6H2
InChIKeyVIIPEGVICQWPQS-UHFFFAOYSA-N
MW126.18 g/mol
LogP0.63
Rot. Bonds

About 5-amino-3H-pyridine-2-thione

5-amino-3H-pyridine-2-thione (PubChem CID 57194529) has the molecular formula C5H6N2S and a molecular weight of 126.18 g/mol. Its IUPAC name is 5-amino-3H-pyridine-2-thione.

Molecular Properties

Compound Name5-amino-3H-pyridine-2-thione
PubChem CID57194529
Molecular FormulaC5H6N2S
Molecular Weight126.18 g/mol
Exact Mass126.03
IUPAC Name5-amino-3H-pyridine-2-thione
SMILESNC1=CCC(=S)N=C1
InChIInChI=1S/C5H6N2S/c6-4-1-2-5(8)7-3-4/h1,3H,2,6H2
InChIKeyVIIPEGVICQWPQS-UHFFFAOYSA-N
XLogP0.63
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.18
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3-Dihydropyridin-5-amine
CID 54086038
3H-pyridin-1-ium-5-amine
CID 57035951
N-(2,3-dihydropyridin-5-yl)ethanethioamide
CID 145682606
2-(Methylideneamino)-2,3-dihydropyridin-5-amine
CID 147720958
3H-pyridin-1-ium-4-amine
CID 152778277
3-imino-2H-pyridin-5-amine
CID 153951800
4-amino-3H-pyridine-2-thione
CID 160791102
4-Amino-2,3-dihydropyridine-2-thiol
CID 174837604
2,6-dideuterio-3-imino-2H-pyridin-5-amine
CID 175714586

Frequently Asked Questions

What is the IUPAC name of 5-amino-3H-pyridine-2-thione?
The IUPAC name of 5-amino-3H-pyridine-2-thione (CID 57194529) is 5-amino-3H-pyridine-2-thione.
What is the SMILES notation for 5-amino-3H-pyridine-2-thione?
The canonical SMILES for 5-amino-3H-pyridine-2-thione is NC1=CCC(=S)N=C1.
What is the InChIKey of 5-amino-3H-pyridine-2-thione?
The InChIKey is VIIPEGVICQWPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2S/c6-4-1-2-5(8)7-3-4/h1,3H,2,6H2.
What are the key properties of 5-amino-3H-pyridine-2-thione?
5-amino-3H-pyridine-2-thione has a molecular weight of 126.18 g/mol, XLogP of 0.63, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3H-pyridine-2-thione is sourced from PubChem (CID 57194529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).