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

C8H10F3N5O2S — CID 107304619

IUPACN'-hydroxy-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholine-2-carboximidamide
SMILESNC(=NO)C1CN(c2nc(C(F)(F)F)ns2)CCO1
InChIInChI=1S/C8H10F3N5O2S/c9-8(10,11)6-13-7(19-15-6)16-1-2-18-4(3-16)5(12)14-17/h4,17H,1-3H2,(H2,12,14)
InChIKeyAZZVCZVAQOHVTK-UHFFFAOYSA-N
MW297.26 g/mol
LogP0.51
Rot. Bonds2

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

N'-hydroxy-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholine-2-carboximidamide (PubChem CID 107304619) has the molecular formula C8H10F3N5O2S and a molecular weight of 297.26 g/mol. Its IUPAC name is N'-hydroxy-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholine-2-carboximidamide
PubChem CID107304619
Molecular FormulaC8H10F3N5O2S
Molecular Weight297.26 g/mol
Exact Mass297.05
IUPAC NameN'-hydroxy-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholine-2-carboximidamide
SMILESNC(=NO)C1CN(c2nc(C(F)(F)F)ns2)CCO1
InChIInChI=1S/C8H10F3N5O2S/c9-8(10,11)6-13-7(19-15-6)16-1-2-18-4(3-16)5(12)14-17/h4,17H,1-3H2,(H2,12,14)
InChIKeyAZZVCZVAQOHVTK-UHFFFAOYSA-N
XLogP0.51
TPSA96.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.26
LogP ≤ 50.51
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-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholine-2-carbothioamide
CID 107304538
N'-hydroxy-3-[2-methoxyethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanimidamide
CID 107304616
3-[2-Methoxyethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanimidamide
CID 107304632
N-(3-morpholin-4-ylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304700
N-[(4-methylmorpholin-2-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107305031
N-[(4-ethylmorpholin-2-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107305195
N-methyl-1-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanamine
CID 107305449
1-[4-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]ethanamine
CID 107305476
[6,6-Dimethyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanamine
CID 107306301
[4-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanamine
CID 113943892
4-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholine-2-carboximidamide
CID 113943912
N-methyl-N-(morpholin-2-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 113944044

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholine-2-carboximidamide?
The IUPAC name of N'-hydroxy-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholine-2-carboximidamide (CID 107304619) is N'-hydroxy-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholine-2-carboximidamide is NC(=NO)C1CN(c2nc(C(F)(F)F)ns2)CCO1.
What is the InChIKey of N'-hydroxy-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholine-2-carboximidamide?
The InChIKey is AZZVCZVAQOHVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N5O2S/c9-8(10,11)6-13-7(19-15-6)16-1-2-18-4(3-16)5(12)14-17/h4,17H,1-3H2,(H2,12,14).
What are the key properties of N'-hydroxy-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholine-2-carboximidamide?
N'-hydroxy-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholine-2-carboximidamide has a molecular weight of 297.26 g/mol, XLogP of 0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholine-2-carboximidamide is sourced from PubChem (CID 107304619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).