N'-hydroxy-4-(1,3,4-thiadiazol-2-ylsulfanyl)butanimidamide

C6H10N4OS2 — CID 43187822

IUPACN'-hydroxy-4-(1,3,4-thiadiazol-2-ylsulfanyl)butanimidamide
SMILESN/C(CCCSc1nncs1)=N\O
InChIInChI=1S/C6H10N4OS2/c7-5(10-11)2-1-3-12-6-9-8-4-13-6/h4,11H,1-3H2,(H2,7,10)
InChIKeyBZAXSQTZHGKJNG-UHFFFAOYSA-N
MW218.31 g/mol
LogP1.16
Rot. Bonds5

About N'-hydroxy-4-(1,3,4-thiadiazol-2-ylsulfanyl)butanimidamide

N'-hydroxy-4-(1,3,4-thiadiazol-2-ylsulfanyl)butanimidamide (PubChem CID 43187822) has the molecular formula C6H10N4OS2 and a molecular weight of 218.31 g/mol. Its IUPAC name is N'-hydroxy-4-(1,3,4-thiadiazol-2-ylsulfanyl)butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(1,3,4-thiadiazol-2-ylsulfanyl)butanimidamide
PubChem CID43187822
Molecular FormulaC6H10N4OS2
Molecular Weight218.31 g/mol
Exact Mass218.03
IUPAC NameN'-hydroxy-4-(1,3,4-thiadiazol-2-ylsulfanyl)butanimidamide
SMILESN/C(CCCSc1nncs1)=N\O
InChIInChI=1S/C6H10N4OS2/c7-5(10-11)2-1-3-12-6-9-8-4-13-6/h4,11H,1-3H2,(H2,7,10)
InChIKeyBZAXSQTZHGKJNG-UHFFFAOYSA-N
XLogP1.16
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.31
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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'}

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Related Compounds

5-(1,3,4-thiadiazol-2-ylsulfanyl)pentanoic acid
CID 28971695
1-phenyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-one
CID 43413986
1-amino-2-methyl-5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-2-ol
CID 64812783
2-amino-2-methyl-5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol
CID 64806204
N-carbamoyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 47135643
hydrazinyl 3-(1,3,4-thiadiazol-2-ylsulfanyl)propanoate
CID 66337521
4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-2-amine
CID 64650373
N-tert-butyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-amine
CID 62577258
2-[3-(1,3,4-thiadiazol-2-ylsulfanyl)propanoylamino]thiophene-3-carboxamide
CID 47136233
N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)butyl]cyclopropanamine
CID 62577257
N'-hydroxy-3-[methyl(1,3,4-thiadiazol-2-yl)amino]propanimidamide
CID 77021392
2-amino-2-methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol
CID 64805388

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-(1,3,4-thiadiazol-2-ylsulfanyl)butanimidamide?
The IUPAC name of N'-hydroxy-4-(1,3,4-thiadiazol-2-ylsulfanyl)butanimidamide (CID 43187822) is N'-hydroxy-4-(1,3,4-thiadiazol-2-ylsulfanyl)butanimidamide.
What is the SMILES notation for N'-hydroxy-4-(1,3,4-thiadiazol-2-ylsulfanyl)butanimidamide?
The canonical SMILES for N'-hydroxy-4-(1,3,4-thiadiazol-2-ylsulfanyl)butanimidamide is N/C(CCCSc1nncs1)=N\O.
What is the InChIKey of N'-hydroxy-4-(1,3,4-thiadiazol-2-ylsulfanyl)butanimidamide?
The InChIKey is BZAXSQTZHGKJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4OS2/c7-5(10-11)2-1-3-12-6-9-8-4-13-6/h4,11H,1-3H2,(H2,7,10).
What are the key properties of N'-hydroxy-4-(1,3,4-thiadiazol-2-ylsulfanyl)butanimidamide?
N'-hydroxy-4-(1,3,4-thiadiazol-2-ylsulfanyl)butanimidamide has a molecular weight of 218.31 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(1,3,4-thiadiazol-2-ylsulfanyl)butanimidamide is sourced from PubChem (CID 43187822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).