N'-hydroxy-3-[methyl(1,2,4-thiadiazol-5-yl)amino]butanimidamide

C7H13N5OS — CID 77064322

IUPACN'-hydroxy-3-[methyl(1,2,4-thiadiazol-5-yl)amino]butanimidamide
SMILESCC(CC(N)=NO)N(C)c1ncns1
InChIInChI=1S/C7H13N5OS/c1-5(3-6(8)11-13)12(2)7-9-4-10-14-7/h4-5,13H,3H2,1-2H3,(H2,8,11)
InChIKeyIYMSHCZUGPJAQU-UHFFFAOYSA-N
MW215.28 g/mol
LogP0.50
Rot. Bonds4

About N'-hydroxy-3-[methyl(1,2,4-thiadiazol-5-yl)amino]butanimidamide

N'-hydroxy-3-[methyl(1,2,4-thiadiazol-5-yl)amino]butanimidamide (PubChem CID 77064322) has the molecular formula C7H13N5OS and a molecular weight of 215.28 g/mol. Its IUPAC name is N'-hydroxy-3-[methyl(1,2,4-thiadiazol-5-yl)amino]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[methyl(1,2,4-thiadiazol-5-yl)amino]butanimidamide
PubChem CID77064322
Molecular FormulaC7H13N5OS
Molecular Weight215.28 g/mol
Exact Mass215.08
IUPAC NameN'-hydroxy-3-[methyl(1,2,4-thiadiazol-5-yl)amino]butanimidamide
SMILESCC(CC(N)=NO)N(C)c1ncns1
InChIInChI=1S/C7H13N5OS/c1-5(3-6(8)11-13)12(2)7-9-4-10-14-7/h4-5,13H,3H2,1-2H3,(H2,8,11)
InChIKeyIYMSHCZUGPJAQU-UHFFFAOYSA-N
XLogP0.50
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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

N'-hydroxy-3-[methyl-(5-methylpyrimidin-2-yl)amino]butanimidamide
CID 76987771
3-[(2,6-dimethylpyrimidin-4-yl)-methylamino]-N'-hydroxybutanimidamide
CID 55175699
3-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N'-hydroxybutanimidamide
CID 136990222
3-[1,3-benzoxazol-2-yl(methyl)amino]-N'-hydroxybutanimidamide
CID 63223801
N-(4-amino-4-hydroxyiminobutan-2-yl)-N-methylthiadiazole-5-carboxamide
CID 77060452
N'-hydroxy-3-methylhexanimidamide
CID 76589131
N'-hydroxy-3-[methyl-[(1-methylpyrazol-3-yl)methyl]amino]butanimidamide
CID 82866740
N'-hydroxy-3-[(6-methoxyisoquinolin-1-yl)-methylamino]butanimidamide
CID 106537052
3-[2-(2-ethoxyphenoxy)ethyl-methylamino]-N'-hydroxybutanimidamide
CID 77073448
3-[(3,4-dimethoxy-2-pyridinyl)methyl-methylamino]-N'-hydroxybutanimidamide
CID 103173134
N-(4-amino-4-hydroxyiminobutan-2-yl)-N-methyl-4-propylthiadiazole-5-carboxamide
CID 77059757
3-(dipropylamino)-N'-hydroxybutanimidamide
CID 76883738

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[methyl(1,2,4-thiadiazol-5-yl)amino]butanimidamide?
The IUPAC name of N'-hydroxy-3-[methyl(1,2,4-thiadiazol-5-yl)amino]butanimidamide (CID 77064322) is N'-hydroxy-3-[methyl(1,2,4-thiadiazol-5-yl)amino]butanimidamide.
What is the SMILES notation for N'-hydroxy-3-[methyl(1,2,4-thiadiazol-5-yl)amino]butanimidamide?
The canonical SMILES for N'-hydroxy-3-[methyl(1,2,4-thiadiazol-5-yl)amino]butanimidamide is CC(CC(N)=NO)N(C)c1ncns1.
What is the InChIKey of N'-hydroxy-3-[methyl(1,2,4-thiadiazol-5-yl)amino]butanimidamide?
The InChIKey is IYMSHCZUGPJAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5OS/c1-5(3-6(8)11-13)12(2)7-9-4-10-14-7/h4-5,13H,3H2,1-2H3,(H2,8,11).
What are the key properties of N'-hydroxy-3-[methyl(1,2,4-thiadiazol-5-yl)amino]butanimidamide?
N'-hydroxy-3-[methyl(1,2,4-thiadiazol-5-yl)amino]butanimidamide has a molecular weight of 215.28 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[methyl(1,2,4-thiadiazol-5-yl)amino]butanimidamide is sourced from PubChem (CID 77064322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).