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

C10H18N6OS — CID 77064371

IUPACN'-hydroxy-2-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]butanimidamide
SMILESCCC(C(N)=NO)N1CCN(c2ncns2)CC1
InChIInChI=1S/C10H18N6OS/c1-2-8(9(11)14-17)15-3-5-16(6-4-15)10-12-7-13-18-10/h7-8,17H,2-6H2,1H3,(H2,11,14)
InChIKeyUGJJNDRIOXZEED-UHFFFAOYSA-N
MW270.36 g/mol
LogP0.19
Rot. Bonds4

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

N'-hydroxy-2-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]butanimidamide (PubChem CID 77064371) has the molecular formula C10H18N6OS and a molecular weight of 270.36 g/mol. Its IUPAC name is N'-hydroxy-2-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]butanimidamide
PubChem CID77064371
Molecular FormulaC10H18N6OS
Molecular Weight270.36 g/mol
Exact Mass270.13
IUPAC NameN'-hydroxy-2-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]butanimidamide
SMILESCCC(C(N)=NO)N1CCN(c2ncns2)CC1
InChIInChI=1S/C10H18N6OS/c1-2-8(9(11)14-17)15-3-5-16(6-4-15)10-12-7-13-18-10/h7-8,17H,2-6H2,1H3,(H2,11,14)
InChIKeyUGJJNDRIOXZEED-UHFFFAOYSA-N
XLogP0.19
TPSA90.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 50.19
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

N'-hydroxy-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]butanimidamide
CID 77059772
2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-N'-hydroxybutanimidamide
CID 77012258
N'-hydroxy-2-(4-propan-2-ylpiperazin-1-yl)butanimidamide
CID 76915824
2-[4-(3-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]-N'-hydroxybutanimidamide
CID 106875388
N'-hydroxy-2-[4-(4-methoxyphenyl)piperazin-1-yl]butanimidamide
CID 76915531
N'-hydroxy-2-[4-(3-methylphenyl)piperazin-1-yl]butanimidamide
CID 76915536
N'-hydroxy-2-[4-(thiadiazole-4-carbonyl)piperazin-1-yl]butanimidamide
CID 77060589
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxybutanimidamide
CID 76915793
2-[4-(2-fluoroethyl)piperazin-1-yl]-N'-hydroxybutanimidamide
CID 80693908
2-[4-(5-chloropyrimidin-4-yl)piperazin-1-yl]-N'-hydroxypentanimidamide
CID 105369063
N'-hydroxy-2-(4-pyrazin-2-ylpiperazin-1-yl)pentanimidamide
CID 77012355
2-[4-(cyclopropylmethyl)piperazin-1-yl]-N'-hydroxybutanimidamide
CID 76915724

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]butanimidamide?
The IUPAC name of N'-hydroxy-2-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]butanimidamide (CID 77064371) is N'-hydroxy-2-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]butanimidamide.
What is the SMILES notation for N'-hydroxy-2-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]butanimidamide?
The canonical SMILES for N'-hydroxy-2-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]butanimidamide is CCC(C(N)=NO)N1CCN(c2ncns2)CC1.
What is the InChIKey of N'-hydroxy-2-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]butanimidamide?
The InChIKey is UGJJNDRIOXZEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6OS/c1-2-8(9(11)14-17)15-3-5-16(6-4-15)10-12-7-13-18-10/h7-8,17H,2-6H2,1H3,(H2,11,14).
What are the key properties of N'-hydroxy-2-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]butanimidamide?
N'-hydroxy-2-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]butanimidamide has a molecular weight of 270.36 g/mol, XLogP of 0.19, 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-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]butanimidamide is sourced from PubChem (CID 77064371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).