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

C10H15F3N6OS — CID 104928294

IUPACN'-hydroxy-2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]propanimidamide
SMILESCC(C(N)=NO)N1CCN(c2nnc(C(F)(F)F)s2)CC1
InChIInChI=1S/C10H15F3N6OS/c1-6(7(14)17-20)18-2-4-19(5-3-18)9-16-15-8(21-9)10(11,12)13/h6,20H,2-5H2,1H3,(H2,14,17)
InChIKeyNUAPCOWCOVFSFQ-UHFFFAOYSA-N
MW324.33 g/mol
LogP0.81
Rot. Bonds3

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

N'-hydroxy-2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]propanimidamide (PubChem CID 104928294) has the molecular formula C10H15F3N6OS and a molecular weight of 324.33 g/mol. Its IUPAC name is N'-hydroxy-2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]propanimidamide
PubChem CID104928294
Molecular FormulaC10H15F3N6OS
Molecular Weight324.33 g/mol
Exact Mass324.10
IUPAC NameN'-hydroxy-2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]propanimidamide
SMILESCC(C(N)=NO)N1CCN(c2nnc(C(F)(F)F)s2)CC1
InChIInChI=1S/C10H15F3N6OS/c1-6(7(14)17-20)18-2-4-19(5-3-18)9-16-15-8(21-9)10(11,12)13/h6,20H,2-5H2,1H3,(H2,14,17)
InChIKeyNUAPCOWCOVFSFQ-UHFFFAOYSA-N
XLogP0.81
TPSA90.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 50.81
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-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]propanimidamide?
The IUPAC name of N'-hydroxy-2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]propanimidamide (CID 104928294) is N'-hydroxy-2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]propanimidamide.
What is the SMILES notation for N'-hydroxy-2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]propanimidamide?
The canonical SMILES for N'-hydroxy-2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]propanimidamide is CC(C(N)=NO)N1CCN(c2nnc(C(F)(F)F)s2)CC1.
What is the InChIKey of N'-hydroxy-2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]propanimidamide?
The InChIKey is NUAPCOWCOVFSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N6OS/c1-6(7(14)17-20)18-2-4-19(5-3-18)9-16-15-8(21-9)10(11,12)13/h6,20H,2-5H2,1H3,(H2,14,17).
What are the key properties of N'-hydroxy-2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]propanimidamide?
N'-hydroxy-2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]propanimidamide has a molecular weight of 324.33 g/mol, XLogP of 0.81, 3 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-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]propanimidamide is sourced from PubChem (CID 104928294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).