2-amino-5-chloropyridine-3-thiol

C5H5ClN2S — CID 86157651

IUPAC2-amino-5-chloropyridine-3-thiol
SMILESNc1ncc(Cl)cc1S
InChIInChI=1S/C5H5ClN2S/c6-3-1-4(9)5(7)8-2-3/h1-2,9H,(H2,7,8)
InChIKeyISCFXSLWXCHDHO-UHFFFAOYSA-N
MW160.63 g/mol
LogP1.61
Rot. Bonds

About 2-amino-5-chloropyridine-3-thiol

2-amino-5-chloropyridine-3-thiol (PubChem CID 86157651) has the molecular formula C5H5ClN2S and a molecular weight of 160.63 g/mol. Its IUPAC name is 2-amino-5-chloropyridine-3-thiol.

Molecular Properties

Compound Name2-amino-5-chloropyridine-3-thiol
PubChem CID86157651
Molecular FormulaC5H5ClN2S
Molecular Weight160.63 g/mol
Exact Mass159.99
IUPAC Name2-amino-5-chloropyridine-3-thiol
SMILESNc1ncc(Cl)cc1S
InChIInChI=1S/C5H5ClN2S/c6-3-1-4(9)5(7)8-2-3/h1-2,9H,(H2,7,8)
InChIKeyISCFXSLWXCHDHO-UHFFFAOYSA-N
XLogP1.61
TPSA38.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.63
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2-amino-5-chloropyridine-3-thiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloropyridine-3-thiol?
The IUPAC name of 2-amino-5-chloropyridine-3-thiol (CID 86157651) is 2-amino-5-chloropyridine-3-thiol.
What is the SMILES notation for 2-amino-5-chloropyridine-3-thiol?
The canonical SMILES for 2-amino-5-chloropyridine-3-thiol is Nc1ncc(Cl)cc1S.
What is the InChIKey of 2-amino-5-chloropyridine-3-thiol?
The InChIKey is ISCFXSLWXCHDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClN2S/c6-3-1-4(9)5(7)8-2-3/h1-2,9H,(H2,7,8).
What are the key properties of 2-amino-5-chloropyridine-3-thiol?
2-amino-5-chloropyridine-3-thiol has a molecular weight of 160.63 g/mol, XLogP of 1.61, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloropyridine-3-thiol is sourced from PubChem (CID 86157651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).