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

C11H20N6OS — CID 77059772

IUPACN'-hydroxy-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]butanimidamide
SMILESCCC(C(N)=NO)N1CCN(c2nnc(C)s2)CC1
InChIInChI=1S/C11H20N6OS/c1-3-9(10(12)15-18)16-4-6-17(7-5-16)11-14-13-8(2)19-11/h9,18H,3-7H2,1-2H3,(H2,12,15)
InChIKeyBNGWQPAJXLCXJW-UHFFFAOYSA-N
MW284.39 g/mol
LogP0.49
Rot. Bonds4

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

N'-hydroxy-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]butanimidamide (PubChem CID 77059772) has the molecular formula C11H20N6OS and a molecular weight of 284.39 g/mol. Its IUPAC name is N'-hydroxy-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]butanimidamide
PubChem CID77059772
Molecular FormulaC11H20N6OS
Molecular Weight284.39 g/mol
Exact Mass284.14
IUPAC NameN'-hydroxy-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]butanimidamide
SMILESCCC(C(N)=NO)N1CCN(c2nnc(C)s2)CC1
InChIInChI=1S/C11H20N6OS/c1-3-9(10(12)15-18)16-4-6-17(7-5-16)11-14-13-8(2)19-11/h9,18H,3-7H2,1-2H3,(H2,12,15)
InChIKeyBNGWQPAJXLCXJW-UHFFFAOYSA-N
XLogP0.49
TPSA90.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 50.49
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-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]butanimidamide?
The IUPAC name of N'-hydroxy-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]butanimidamide (CID 77059772) is N'-hydroxy-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]butanimidamide.
What is the SMILES notation for N'-hydroxy-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]butanimidamide?
The canonical SMILES for N'-hydroxy-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]butanimidamide is CCC(C(N)=NO)N1CCN(c2nnc(C)s2)CC1.
What is the InChIKey of N'-hydroxy-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]butanimidamide?
The InChIKey is BNGWQPAJXLCXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6OS/c1-3-9(10(12)15-18)16-4-6-17(7-5-16)11-14-13-8(2)19-11/h9,18H,3-7H2,1-2H3,(H2,12,15).
What are the key properties of N'-hydroxy-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]butanimidamide?
N'-hydroxy-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]butanimidamide has a molecular weight of 284.39 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]butanimidamide is sourced from PubChem (CID 77059772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).