N'-hydroxy-3-(1,3-thiazol-2-ylsulfanyl)butanimidamide

C7H11N3OS2 — CID 61218176

IUPACN'-hydroxy-3-(1,3-thiazol-2-ylsulfanyl)butanimidamide
SMILESCC(CC(N)=NO)Sc1nccs1
InChIInChI=1S/C7H11N3OS2/c1-5(4-6(8)10-11)13-7-9-2-3-12-7/h2-3,5,11H,4H2,1H3,(H2,8,10)
InChIKeyPOHVMIAKJJPHHL-UHFFFAOYSA-N
MW217.32 g/mol
LogP1.76
Rot. Bonds4

About N'-hydroxy-3-(1,3-thiazol-2-ylsulfanyl)butanimidamide

N'-hydroxy-3-(1,3-thiazol-2-ylsulfanyl)butanimidamide (PubChem CID 61218176) has the molecular formula C7H11N3OS2 and a molecular weight of 217.32 g/mol. Its IUPAC name is N'-hydroxy-3-(1,3-thiazol-2-ylsulfanyl)butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(1,3-thiazol-2-ylsulfanyl)butanimidamide
PubChem CID61218176
Molecular FormulaC7H11N3OS2
Molecular Weight217.32 g/mol
Exact Mass217.03
IUPAC NameN'-hydroxy-3-(1,3-thiazol-2-ylsulfanyl)butanimidamide
SMILESCC(CC(N)=NO)Sc1nccs1
InChIInChI=1S/C7H11N3OS2/c1-5(4-6(8)10-11)13-7-9-2-3-12-7/h2-3,5,11H,4H2,1H3,(H2,8,10)
InChIKeyPOHVMIAKJJPHHL-UHFFFAOYSA-N
XLogP1.76
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-hydroxy-3-(1,3-thiazol-2-ylsulfanyl)butanimidamide 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 N'-hydroxy-3-(1,3-thiazol-2-ylsulfanyl)butanimidamide?
The IUPAC name of N'-hydroxy-3-(1,3-thiazol-2-ylsulfanyl)butanimidamide (CID 61218176) is N'-hydroxy-3-(1,3-thiazol-2-ylsulfanyl)butanimidamide.
What is the SMILES notation for N'-hydroxy-3-(1,3-thiazol-2-ylsulfanyl)butanimidamide?
The canonical SMILES for N'-hydroxy-3-(1,3-thiazol-2-ylsulfanyl)butanimidamide is CC(CC(N)=NO)Sc1nccs1.
What is the InChIKey of N'-hydroxy-3-(1,3-thiazol-2-ylsulfanyl)butanimidamide?
The InChIKey is POHVMIAKJJPHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3OS2/c1-5(4-6(8)10-11)13-7-9-2-3-12-7/h2-3,5,11H,4H2,1H3,(H2,8,10).
What are the key properties of N'-hydroxy-3-(1,3-thiazol-2-ylsulfanyl)butanimidamide?
N'-hydroxy-3-(1,3-thiazol-2-ylsulfanyl)butanimidamide has a molecular weight of 217.32 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(1,3-thiazol-2-ylsulfanyl)butanimidamide is sourced from PubChem (CID 61218176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).