N-hydroxy-N'-[4-(thiadiazol-4-yl)phenyl]methanimidamide

C9H8N4OS — CID 135855082

IUPACN-hydroxy-N'-[4-(thiadiazol-4-yl)phenyl]methanimidamide
SMILESON/C=N/c1ccc(-c2csnn2)cc1
InChIInChI=1S/C9H8N4OS/c14-11-6-10-8-3-1-7(2-4-8)9-5-15-13-12-9/h1-6,14H,(H,10,11)
InChIKeyQRASDMGNERZDOM-UHFFFAOYSA-N
MW220.26 g/mol
LogP1.84
Rot. Bonds3

About N-hydroxy-N'-[4-(thiadiazol-4-yl)phenyl]methanimidamide

N-hydroxy-N'-[4-(thiadiazol-4-yl)phenyl]methanimidamide (PubChem CID 135855082) has the molecular formula C9H8N4OS and a molecular weight of 220.26 g/mol. Its IUPAC name is N-hydroxy-N'-[4-(thiadiazol-4-yl)phenyl]methanimidamide.

Molecular Properties

Compound NameN-hydroxy-N'-[4-(thiadiazol-4-yl)phenyl]methanimidamide
PubChem CID135855082
Molecular FormulaC9H8N4OS
Molecular Weight220.26 g/mol
Exact Mass220.04
IUPAC NameN-hydroxy-N'-[4-(thiadiazol-4-yl)phenyl]methanimidamide
SMILESON/C=N/c1ccc(-c2csnn2)cc1
InChIInChI=1S/C9H8N4OS/c14-11-6-10-8-3-1-7(2-4-8)9-5-15-13-12-9/h1-6,14H,(H,10,11)
InChIKeyQRASDMGNERZDOM-UHFFFAOYSA-N
XLogP1.84
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N'-[4-(thiadiazol-4-yl)phenyl]methanimidamide?
The IUPAC name of N-hydroxy-N'-[4-(thiadiazol-4-yl)phenyl]methanimidamide (CID 135855082) is N-hydroxy-N'-[4-(thiadiazol-4-yl)phenyl]methanimidamide.
What is the SMILES notation for N-hydroxy-N'-[4-(thiadiazol-4-yl)phenyl]methanimidamide?
The canonical SMILES for N-hydroxy-N'-[4-(thiadiazol-4-yl)phenyl]methanimidamide is ON/C=N/c1ccc(-c2csnn2)cc1.
What is the InChIKey of N-hydroxy-N'-[4-(thiadiazol-4-yl)phenyl]methanimidamide?
The InChIKey is QRASDMGNERZDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4OS/c14-11-6-10-8-3-1-7(2-4-8)9-5-15-13-12-9/h1-6,14H,(H,10,11).
What are the key properties of N-hydroxy-N'-[4-(thiadiazol-4-yl)phenyl]methanimidamide?
N-hydroxy-N'-[4-(thiadiazol-4-yl)phenyl]methanimidamide has a molecular weight of 220.26 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N'-[4-(thiadiazol-4-yl)phenyl]methanimidamide is sourced from PubChem (CID 135855082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).