2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N'-hydroxyethanimidamide

C10H18N6OS — CID 77064349

IUPAC2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N'-hydroxyethanimidamide
SMILESCCc1nsc(N2CCN(CC(N)=NO)CC2)n1
InChIInChI=1S/C10H18N6OS/c1-2-9-12-10(18-14-9)16-5-3-15(4-6-16)7-8(11)13-17/h17H,2-7H2,1H3,(H2,11,13)
InChIKeyFFFQNRYYEJQLQF-UHFFFAOYSA-N
MW270.36 g/mol
LogP-0.03
Rot. Bonds4

About 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N'-hydroxyethanimidamide

2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N'-hydroxyethanimidamide (PubChem CID 77064349) has the molecular formula C10H18N6OS and a molecular weight of 270.36 g/mol. Its IUPAC name is 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N'-hydroxyethanimidamide
PubChem CID77064349
Molecular FormulaC10H18N6OS
Molecular Weight270.36 g/mol
Exact Mass270.13
IUPAC Name2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N'-hydroxyethanimidamide
SMILESCCc1nsc(N2CCN(CC(N)=NO)CC2)n1
InChIInChI=1S/C10H18N6OS/c1-2-9-12-10(18-14-9)16-5-3-15(4-6-16)7-8(11)13-17/h17H,2-7H2,1H3,(H2,11,13)
InChIKeyFFFQNRYYEJQLQF-UHFFFAOYSA-N
XLogP-0.03
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 ≤ 5-0.03
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 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N'-hydroxyethanimidamide (CID 77064349) is 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N'-hydroxyethanimidamide is CCc1nsc(N2CCN(CC(N)=NO)CC2)n1.
What is the InChIKey of 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N'-hydroxyethanimidamide?
The InChIKey is FFFQNRYYEJQLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6OS/c1-2-9-12-10(18-14-9)16-5-3-15(4-6-16)7-8(11)13-17/h17H,2-7H2,1H3,(H2,11,13).
What are the key properties of 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N'-hydroxyethanimidamide?
2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N'-hydroxyethanimidamide has a molecular weight of 270.36 g/mol, XLogP of -0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N'-hydroxyethanimidamide is sourced from PubChem (CID 77064349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).