5-amino-4-pyridin-2-yl-3H-1,3-thiazole-2-thione

C8H7N3S2 — CID 28805685

IUPAC5-amino-4-pyridin-2-yl-3H-1,3-thiazole-2-thione
SMILESNc1sc(=S)[nH]c1-c1ccccn1
InChIInChI=1S/C8H7N3S2/c9-7-6(11-8(12)13-7)5-3-1-2-4-10-5/h1-4H,9H2,(H,11,12)
InChIKeyJIFNNVVARTVFFQ-UHFFFAOYSA-N
MW209.30 g/mol
LogP2.45
Rot. Bonds1

About 5-amino-4-pyridin-2-yl-3H-1,3-thiazole-2-thione

5-amino-4-pyridin-2-yl-3H-1,3-thiazole-2-thione (PubChem CID 28805685) has the molecular formula C8H7N3S2 and a molecular weight of 209.30 g/mol. Its IUPAC name is 5-amino-4-pyridin-2-yl-3H-1,3-thiazole-2-thione.

Molecular Properties

Compound Name5-amino-4-pyridin-2-yl-3H-1,3-thiazole-2-thione
PubChem CID28805685
Molecular FormulaC8H7N3S2
Molecular Weight209.30 g/mol
Exact Mass209.01
IUPAC Name5-amino-4-pyridin-2-yl-3H-1,3-thiazole-2-thione
SMILESNc1sc(=S)[nH]c1-c1ccccn1
InChIInChI=1S/C8H7N3S2/c9-7-6(11-8(12)13-7)5-3-1-2-4-10-5/h1-4H,9H2,(H,11,12)
InChIKeyJIFNNVVARTVFFQ-UHFFFAOYSA-N
XLogP2.45
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.30
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-pyridin-2-yl-3H-1,3-thiazole-2-thione?
The IUPAC name of 5-amino-4-pyridin-2-yl-3H-1,3-thiazole-2-thione (CID 28805685) is 5-amino-4-pyridin-2-yl-3H-1,3-thiazole-2-thione.
What is the SMILES notation for 5-amino-4-pyridin-2-yl-3H-1,3-thiazole-2-thione?
The canonical SMILES for 5-amino-4-pyridin-2-yl-3H-1,3-thiazole-2-thione is Nc1sc(=S)[nH]c1-c1ccccn1.
What is the InChIKey of 5-amino-4-pyridin-2-yl-3H-1,3-thiazole-2-thione?
The InChIKey is JIFNNVVARTVFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3S2/c9-7-6(11-8(12)13-7)5-3-1-2-4-10-5/h1-4H,9H2,(H,11,12).
What are the key properties of 5-amino-4-pyridin-2-yl-3H-1,3-thiazole-2-thione?
5-amino-4-pyridin-2-yl-3H-1,3-thiazole-2-thione has a molecular weight of 209.30 g/mol, XLogP of 2.45, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-pyridin-2-yl-3H-1,3-thiazole-2-thione is sourced from PubChem (CID 28805685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).