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

C7H5F3N6OS — CID 136802092

IUPACN'-hydroxy-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]imidazole-2-carboximidamide
SMILESN/C(=N/O)c1nccn1-c1nc(C(F)(F)F)ns1
InChIInChI=1S/C7H5F3N6OS/c8-7(9,10)5-13-6(18-15-5)16-2-1-12-4(16)3(11)14-17/h1-2,17H,(H2,11,14)
InChIKeyRZEMDGHCJQDYNH-UHFFFAOYSA-N
MW278.22 g/mol
LogP0.84
Rot. Bonds2

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

N'-hydroxy-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]imidazole-2-carboximidamide (PubChem CID 136802092) has the molecular formula C7H5F3N6OS and a molecular weight of 278.22 g/mol. Its IUPAC name is N'-hydroxy-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]imidazole-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]imidazole-2-carboximidamide
PubChem CID136802092
Molecular FormulaC7H5F3N6OS
Molecular Weight278.22 g/mol
Exact Mass278.02
IUPAC NameN'-hydroxy-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]imidazole-2-carboximidamide
SMILESN/C(=N/O)c1nccn1-c1nc(C(F)(F)F)ns1
InChIInChI=1S/C7H5F3N6OS/c8-7(9,10)5-13-6(18-15-5)16-2-1-12-4(16)3(11)14-17/h1-2,17H,(H2,11,14)
InChIKeyRZEMDGHCJQDYNH-UHFFFAOYSA-N
XLogP0.84
TPSA102.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.22
LogP ≤ 50.84
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-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]imidazole-2-carboximidamide?
The IUPAC name of N'-hydroxy-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]imidazole-2-carboximidamide (CID 136802092) is N'-hydroxy-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]imidazole-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]imidazole-2-carboximidamide?
The canonical SMILES for N'-hydroxy-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]imidazole-2-carboximidamide is N/C(=N/O)c1nccn1-c1nc(C(F)(F)F)ns1.
What is the InChIKey of N'-hydroxy-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]imidazole-2-carboximidamide?
The InChIKey is RZEMDGHCJQDYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N6OS/c8-7(9,10)5-13-6(18-15-5)16-2-1-12-4(16)3(11)14-17/h1-2,17H,(H2,11,14).
What are the key properties of N'-hydroxy-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]imidazole-2-carboximidamide?
N'-hydroxy-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]imidazole-2-carboximidamide has a molecular weight of 278.22 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]imidazole-2-carboximidamide is sourced from PubChem (CID 136802092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).