O-[[5-(4-amino-1,3-thiazol-2-yl)-2-pyridinyl]methyl]hydroxylamine;hydrochloride

C9H11ClN4OS — CID 46224015

IUPACO-[[5-(4-amino-1,3-thiazol-2-yl)-2-pyridinyl]methyl]hydroxylamine;hydrochloride
SMILESCl.NOCc1ccc(-c2nc(N)cs2)cn1
InChIInChI=1S/C9H10N4OS.ClH/c10-8-5-15-9(13-8)6-1-2-7(4-14-11)12-3-6;/h1-3,5H,4,10-11H2;1H
InChIKeyJFUQMAMTXPRBMM-UHFFFAOYSA-N
MW258.73 g/mol
LogP1.60
Rot. Bonds3

About O-[[5-(4-amino-1,3-thiazol-2-yl)-2-pyridinyl]methyl]hydroxylamine;hydrochloride

O-[[5-(4-amino-1,3-thiazol-2-yl)-2-pyridinyl]methyl]hydroxylamine;hydrochloride (PubChem CID 46224015) has the molecular formula C9H11ClN4OS and a molecular weight of 258.73 g/mol. Its IUPAC name is O-[[5-(4-amino-1,3-thiazol-2-yl)-2-pyridinyl]methyl]hydroxylamine;hydrochloride.

Molecular Properties

Compound NameO-[[5-(4-amino-1,3-thiazol-2-yl)-2-pyridinyl]methyl]hydroxylamine;hydrochloride
PubChem CID46224015
Molecular FormulaC9H11ClN4OS
Molecular Weight258.73 g/mol
Exact Mass258.03
IUPAC NameO-[[5-(4-amino-1,3-thiazol-2-yl)-2-pyridinyl]methyl]hydroxylamine;hydrochloride
SMILESCl.NOCc1ccc(-c2nc(N)cs2)cn1
InChIInChI=1S/C9H10N4OS.ClH/c10-8-5-15-9(13-8)6-1-2-7(4-14-11)12-3-6;/h1-3,5H,4,10-11H2;1H
InChIKeyJFUQMAMTXPRBMM-UHFFFAOYSA-N
XLogP1.60
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.73
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze O-[[5-(4-amino-1,3-thiazol-2-yl)-2-pyridinyl]methyl]hydroxylamine;hydrochloride 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 O-[[5-(4-amino-1,3-thiazol-2-yl)-2-pyridinyl]methyl]hydroxylamine;hydrochloride?
The IUPAC name of O-[[5-(4-amino-1,3-thiazol-2-yl)-2-pyridinyl]methyl]hydroxylamine;hydrochloride (CID 46224015) is O-[[5-(4-amino-1,3-thiazol-2-yl)-2-pyridinyl]methyl]hydroxylamine;hydrochloride.
What is the SMILES notation for O-[[5-(4-amino-1,3-thiazol-2-yl)-2-pyridinyl]methyl]hydroxylamine;hydrochloride?
The canonical SMILES for O-[[5-(4-amino-1,3-thiazol-2-yl)-2-pyridinyl]methyl]hydroxylamine;hydrochloride is Cl.NOCc1ccc(-c2nc(N)cs2)cn1.
What is the InChIKey of O-[[5-(4-amino-1,3-thiazol-2-yl)-2-pyridinyl]methyl]hydroxylamine;hydrochloride?
The InChIKey is JFUQMAMTXPRBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4OS.ClH/c10-8-5-15-9(13-8)6-1-2-7(4-14-11)12-3-6;/h1-3,5H,4,10-11H2;1H.
What are the key properties of O-[[5-(4-amino-1,3-thiazol-2-yl)-2-pyridinyl]methyl]hydroxylamine;hydrochloride?
O-[[5-(4-amino-1,3-thiazol-2-yl)-2-pyridinyl]methyl]hydroxylamine;hydrochloride has a molecular weight of 258.73 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for O-[[5-(4-amino-1,3-thiazol-2-yl)-2-pyridinyl]methyl]hydroxylamine;hydrochloride is sourced from PubChem (CID 46224015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).