N'-hydroxy-3-[2-methoxyethyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanimidamide

C11H21N5O2S — CID 77064340

IUPACN'-hydroxy-3-[2-methoxyethyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanimidamide
SMILESCCCc1nsc(N(CCOC)CCC(N)=NO)n1
InChIInChI=1S/C11H21N5O2S/c1-3-4-10-13-11(19-15-10)16(7-8-18-2)6-5-9(12)14-17/h17H,3-8H2,1-2H3,(H2,12,14)
InChIKeyMWAMBQBHKZTQRS-UHFFFAOYSA-N
MW287.39 g/mol
LogP1.08
Rot. Bonds9

About N'-hydroxy-3-[2-methoxyethyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanimidamide

N'-hydroxy-3-[2-methoxyethyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanimidamide (PubChem CID 77064340) has the molecular formula C11H21N5O2S and a molecular weight of 287.39 g/mol. Its IUPAC name is N'-hydroxy-3-[2-methoxyethyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[2-methoxyethyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanimidamide
PubChem CID77064340
Molecular FormulaC11H21N5O2S
Molecular Weight287.39 g/mol
Exact Mass287.14
IUPAC NameN'-hydroxy-3-[2-methoxyethyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanimidamide
SMILESCCCc1nsc(N(CCOC)CCC(N)=NO)n1
InChIInChI=1S/C11H21N5O2S/c1-3-4-10-13-11(19-15-10)16(7-8-18-2)6-5-9(12)14-17/h17H,3-8H2,1-2H3,(H2,12,14)
InChIKeyMWAMBQBHKZTQRS-UHFFFAOYSA-N
XLogP1.08
TPSA96.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-[2-methoxyethyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanimidamide?
The IUPAC name of N'-hydroxy-3-[2-methoxyethyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanimidamide (CID 77064340) is N'-hydroxy-3-[2-methoxyethyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[2-methoxyethyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[2-methoxyethyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanimidamide is CCCc1nsc(N(CCOC)CCC(N)=NO)n1.
What is the InChIKey of N'-hydroxy-3-[2-methoxyethyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanimidamide?
The InChIKey is MWAMBQBHKZTQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2S/c1-3-4-10-13-11(19-15-10)16(7-8-18-2)6-5-9(12)14-17/h17H,3-8H2,1-2H3,(H2,12,14).
What are the key properties of N'-hydroxy-3-[2-methoxyethyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanimidamide?
N'-hydroxy-3-[2-methoxyethyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanimidamide has a molecular weight of 287.39 g/mol, XLogP of 1.08, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[2-methoxyethyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanimidamide is sourced from PubChem (CID 77064340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).