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

C6H11N5OS — CID 77021392

IUPACN'-hydroxy-3-[methyl(1,3,4-thiadiazol-2-yl)amino]propanimidamide
SMILESCN(CCC(N)=NO)c1nncs1
InChIInChI=1S/C6H11N5OS/c1-11(3-2-5(7)10-12)6-9-8-4-13-6/h4,12H,2-3H2,1H3,(H2,7,10)
InChIKeyQIRSOMOHWGORDZ-UHFFFAOYSA-N
MW201.25 g/mol
LogP0.11
Rot. Bonds4

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

N'-hydroxy-3-[methyl(1,3,4-thiadiazol-2-yl)amino]propanimidamide (PubChem CID 77021392) has the molecular formula C6H11N5OS and a molecular weight of 201.25 g/mol. Its IUPAC name is N'-hydroxy-3-[methyl(1,3,4-thiadiazol-2-yl)amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[methyl(1,3,4-thiadiazol-2-yl)amino]propanimidamide
PubChem CID77021392
Molecular FormulaC6H11N5OS
Molecular Weight201.25 g/mol
Exact Mass201.07
IUPAC NameN'-hydroxy-3-[methyl(1,3,4-thiadiazol-2-yl)amino]propanimidamide
SMILESCN(CCC(N)=NO)c1nncs1
InChIInChI=1S/C6H11N5OS/c1-11(3-2-5(7)10-12)6-9-8-4-13-6/h4,12H,2-3H2,1H3,(H2,7,10)
InChIKeyQIRSOMOHWGORDZ-UHFFFAOYSA-N
XLogP0.11
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 50.11
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[methyl(1,3,4-thiadiazol-2-yl)amino]propanimidamide?
The IUPAC name of N'-hydroxy-3-[methyl(1,3,4-thiadiazol-2-yl)amino]propanimidamide (CID 77021392) is N'-hydroxy-3-[methyl(1,3,4-thiadiazol-2-yl)amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[methyl(1,3,4-thiadiazol-2-yl)amino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[methyl(1,3,4-thiadiazol-2-yl)amino]propanimidamide is CN(CCC(N)=NO)c1nncs1.
What is the InChIKey of N'-hydroxy-3-[methyl(1,3,4-thiadiazol-2-yl)amino]propanimidamide?
The InChIKey is QIRSOMOHWGORDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5OS/c1-11(3-2-5(7)10-12)6-9-8-4-13-6/h4,12H,2-3H2,1H3,(H2,7,10).
What are the key properties of N'-hydroxy-3-[methyl(1,3,4-thiadiazol-2-yl)amino]propanimidamide?
N'-hydroxy-3-[methyl(1,3,4-thiadiazol-2-yl)amino]propanimidamide has a molecular weight of 201.25 g/mol, XLogP of 0.11, 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(1,3,4-thiadiazol-2-yl)amino]propanimidamide is sourced from PubChem (CID 77021392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).