N'-hydroxy-2-[4-(thiadiazole-4-carbonyl)piperazin-1-yl]butanimidamide

C11H18N6O2S — CID 77060589

IUPACN'-hydroxy-2-[4-(thiadiazole-4-carbonyl)piperazin-1-yl]butanimidamide
SMILESCCC(C(N)=NO)N1CCN(C(=O)c2csnn2)CC1
InChIInChI=1S/C11H18N6O2S/c1-2-9(10(12)14-19)16-3-5-17(6-4-16)11(18)8-7-20-15-13-8/h7,9,19H,2-6H2,1H3,(H2,12,14)
InChIKeyLOWUZDITKJKVEE-UHFFFAOYSA-N
MW298.37 g/mol
LogP-0.18
Rot. Bonds4

About N'-hydroxy-2-[4-(thiadiazole-4-carbonyl)piperazin-1-yl]butanimidamide

N'-hydroxy-2-[4-(thiadiazole-4-carbonyl)piperazin-1-yl]butanimidamide (PubChem CID 77060589) has the molecular formula C11H18N6O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is N'-hydroxy-2-[4-(thiadiazole-4-carbonyl)piperazin-1-yl]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[4-(thiadiazole-4-carbonyl)piperazin-1-yl]butanimidamide
PubChem CID77060589
Molecular FormulaC11H18N6O2S
Molecular Weight298.37 g/mol
Exact Mass298.12
IUPAC NameN'-hydroxy-2-[4-(thiadiazole-4-carbonyl)piperazin-1-yl]butanimidamide
SMILESCCC(C(N)=NO)N1CCN(C(=O)c2csnn2)CC1
InChIInChI=1S/C11H18N6O2S/c1-2-9(10(12)14-19)16-3-5-17(6-4-16)11(18)8-7-20-15-13-8/h7,9,19H,2-6H2,1H3,(H2,12,14)
InChIKeyLOWUZDITKJKVEE-UHFFFAOYSA-N
XLogP-0.18
TPSA107.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 5-0.18
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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Related Compounds

(4-propan-2-ylpiperazin-1-yl)-(thiadiazol-4-yl)methanone
CID 166703611
N'-hydroxy-2-[4-(5-methyl-1H-pyrazole-4-carbonyl)piperazin-1-yl]butanimidamide
CID 77042376
2,2-dimethyl-1-[4-(thiadiazole-4-carbonyl)piperazin-1-yl]propan-1-one
CID 154781945
2-[4-(2,2-dimethylbutanoyl)piperazin-1-yl]-N'-hydroxybutanimidamide
CID 77012475
[4-(2-hydroxyethyl)piperazin-1-yl]-(thiadiazol-4-yl)methanone
CID 61067356
N'-hydroxy-2-(4-propan-2-ylpiperazin-1-yl)butanimidamide
CID 76915824
N'-hydroxy-2-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]pentanimidamide
CID 77012746
4-ethyl-1-(thiadiazole-4-carbonyl)piperidine-4-carboxylic acid
CID 65214766
(4-chloropiperidin-1-yl)-(thiadiazol-4-yl)methanone
CID 65216412
1,4-diazepan-1-yl(thiadiazol-4-yl)methanone
CID 65214276
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxybutanimidamide
CID 76915793
N'-hydroxy-2-[4-(thiane-2-carbonyl)piperazin-1-yl]butanimidamide
CID 80595154

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[4-(thiadiazole-4-carbonyl)piperazin-1-yl]butanimidamide?
The IUPAC name of N'-hydroxy-2-[4-(thiadiazole-4-carbonyl)piperazin-1-yl]butanimidamide (CID 77060589) is N'-hydroxy-2-[4-(thiadiazole-4-carbonyl)piperazin-1-yl]butanimidamide.
What is the SMILES notation for N'-hydroxy-2-[4-(thiadiazole-4-carbonyl)piperazin-1-yl]butanimidamide?
The canonical SMILES for N'-hydroxy-2-[4-(thiadiazole-4-carbonyl)piperazin-1-yl]butanimidamide is CCC(C(N)=NO)N1CCN(C(=O)c2csnn2)CC1.
What is the InChIKey of N'-hydroxy-2-[4-(thiadiazole-4-carbonyl)piperazin-1-yl]butanimidamide?
The InChIKey is LOWUZDITKJKVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O2S/c1-2-9(10(12)14-19)16-3-5-17(6-4-16)11(18)8-7-20-15-13-8/h7,9,19H,2-6H2,1H3,(H2,12,14).
What are the key properties of N'-hydroxy-2-[4-(thiadiazole-4-carbonyl)piperazin-1-yl]butanimidamide?
N'-hydroxy-2-[4-(thiadiazole-4-carbonyl)piperazin-1-yl]butanimidamide has a molecular weight of 298.37 g/mol, XLogP of -0.18, 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-(thiadiazole-4-carbonyl)piperazin-1-yl]butanimidamide is sourced from PubChem (CID 77060589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).