N'-hydroxy-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboximidamide

C11H9F3N4O2S — CID 106922619

IUPACN'-hydroxy-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboximidamide
SMILESCc1coc(Sc2nc(C(F)(F)F)ccc2/C(N)=N/O)n1
InChIInChI=1S/C11H9F3N4O2S/c1-5-4-20-10(16-5)21-9-6(8(15)18-19)2-3-7(17-9)11(12,13)14/h2-4,19H,1H3,(H2,15,18)
InChIKeyZCGNYTPFPQUKMY-UHFFFAOYSA-N
MW318.28 g/mol
LogP2.64
Rot. Bonds3

About N'-hydroxy-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboximidamide

N'-hydroxy-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboximidamide (PubChem CID 106922619) has the molecular formula C11H9F3N4O2S and a molecular weight of 318.28 g/mol. Its IUPAC name is N'-hydroxy-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboximidamide
PubChem CID106922619
Molecular FormulaC11H9F3N4O2S
Molecular Weight318.28 g/mol
Exact Mass318.04
IUPAC NameN'-hydroxy-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboximidamide
SMILESCc1coc(Sc2nc(C(F)(F)F)ccc2/C(N)=N/O)n1
InChIInChI=1S/C11H9F3N4O2S/c1-5-4-20-10(16-5)21-9-6(8(15)18-19)2-3-7(17-9)11(12,13)14/h2-4,19H,1H3,(H2,15,18)
InChIKeyZCGNYTPFPQUKMY-UHFFFAOYSA-N
XLogP2.64
TPSA97.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.28
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-methyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboximidamide (CID 106922619) is N'-hydroxy-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboximidamide is Cc1coc(Sc2nc(C(F)(F)F)ccc2/C(N)=N/O)n1.
What is the InChIKey of N'-hydroxy-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboximidamide?
The InChIKey is ZCGNYTPFPQUKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4O2S/c1-5-4-20-10(16-5)21-9-6(8(15)18-19)2-3-7(17-9)11(12,13)14/h2-4,19H,1H3,(H2,15,18).
What are the key properties of N'-hydroxy-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboximidamide?
N'-hydroxy-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboximidamide has a molecular weight of 318.28 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboximidamide is sourced from PubChem (CID 106922619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).