4-amino-2,3-dihydropyridine-2-thiol

C5H8N2S — CID 174837604

IUPAC4-amino-2,3-dihydropyridine-2-thiol
SMILESNC1=CC=NC(S)C1
InChIInChI=1S/C5H8N2S/c6-4-1-2-7-5(8)3-4/h1-2,5,8H,3,6H2
InChIKeyNTLAUHVTMRLMKH-UHFFFAOYSA-N
MW128.20 g/mol
LogP0.56
Rot. Bonds

About 4-amino-2,3-dihydropyridine-2-thiol

4-amino-2,3-dihydropyridine-2-thiol (PubChem CID 174837604) has the molecular formula C5H8N2S and a molecular weight of 128.20 g/mol. Its IUPAC name is 4-amino-2,3-dihydropyridine-2-thiol.

Molecular Properties

Compound Name4-amino-2,3-dihydropyridine-2-thiol
PubChem CID174837604
Molecular FormulaC5H8N2S
Molecular Weight128.20 g/mol
Exact Mass128.04
IUPAC Name4-amino-2,3-dihydropyridine-2-thiol
SMILESNC1=CC=NC(S)C1
InChIInChI=1S/C5H8N2S/c6-4-1-2-7-5(8)3-4/h1-2,5,8H,3,6H2
InChIKeyNTLAUHVTMRLMKH-UHFFFAOYSA-N
XLogP0.56
TPSA38.38 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.20
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2,3-dihydropyridine-2-thiol?
The IUPAC name of 4-amino-2,3-dihydropyridine-2-thiol (CID 174837604) is 4-amino-2,3-dihydropyridine-2-thiol.
What is the SMILES notation for 4-amino-2,3-dihydropyridine-2-thiol?
The canonical SMILES for 4-amino-2,3-dihydropyridine-2-thiol is NC1=CC=NC(S)C1.
What is the InChIKey of 4-amino-2,3-dihydropyridine-2-thiol?
The InChIKey is NTLAUHVTMRLMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2S/c6-4-1-2-7-5(8)3-4/h1-2,5,8H,3,6H2.
What are the key properties of 4-amino-2,3-dihydropyridine-2-thiol?
4-amino-2,3-dihydropyridine-2-thiol has a molecular weight of 128.20 g/mol, XLogP of 0.56, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,3-dihydropyridine-2-thiol is sourced from PubChem (CID 174837604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).