4-(1,3-oxazol-2-ylsulfanyl)-2-(trifluoromethyl)benzenecarboximidamide

C11H8F3N3OS — CID 106922802

IUPAC4-(1,3-oxazol-2-ylsulfanyl)-2-(trifluoromethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Sc2ncco2)cc1C(F)(F)F
InChIInChI=1S/C11H8F3N3OS/c12-11(13,14)8-5-6(1-2-7(8)9(15)16)19-10-17-3-4-18-10/h1-5H,(H3,15,16)
InChIKeySKXCIYNHPWUYEC-UHFFFAOYSA-N
MW287.27 g/mol
LogP3.13
Rot. Bonds3

About 4-(1,3-oxazol-2-ylsulfanyl)-2-(trifluoromethyl)benzenecarboximidamide

4-(1,3-oxazol-2-ylsulfanyl)-2-(trifluoromethyl)benzenecarboximidamide (PubChem CID 106922802) has the molecular formula C11H8F3N3OS and a molecular weight of 287.27 g/mol. Its IUPAC name is 4-(1,3-oxazol-2-ylsulfanyl)-2-(trifluoromethyl)benzenecarboximidamide.

Molecular Properties

Compound Name4-(1,3-oxazol-2-ylsulfanyl)-2-(trifluoromethyl)benzenecarboximidamide
PubChem CID106922802
Molecular FormulaC11H8F3N3OS
Molecular Weight287.27 g/mol
Exact Mass287.03
IUPAC Name4-(1,3-oxazol-2-ylsulfanyl)-2-(trifluoromethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Sc2ncco2)cc1C(F)(F)F
InChIInChI=1S/C11H8F3N3OS/c12-11(13,14)8-5-6(1-2-7(8)9(15)16)19-10-17-3-4-18-10/h1-5H,(H3,15,16)
InChIKeySKXCIYNHPWUYEC-UHFFFAOYSA-N
XLogP3.13
TPSA75.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-pyrimidin-4-ylsulfanyl-2-(trifluoromethyl)benzenecarboximidamide
CID 63697815
4-(4-methylphenyl)sulfanyl-2-(trifluoromethyl)benzenecarboximidamide
CID 43320980
4-(1,3-oxazol-2-ylsulfanyl)-2-(trifluoromethyl)benzaldehyde
CID 106926357
5-bromo-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide
CID 106922788
4-methoxy-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide
CID 106922784
4-(methylamino)-2-(trifluoromethyl)benzenecarboximidamide
CID 62200669
2-(trifluoromethyl)benzenecarboximidamide
CID 3266509
4-(4-methylpyrimidin-2-yl)sulfanyl-2-(trifluoromethyl)benzoic acid
CID 62701786
4-(2-hydroxyethoxy)-2-(trifluoromethyl)benzenecarboximidamide
CID 43138698
2-(trifluoromethyl)benzenecarboximidamide;hydrochloride
CID 42614308
4-(1-methylpyrazol-4-yl)oxy-2-(trifluoromethyl)benzenecarboximidamide
CID 116792854
4-(dimethylsulfamoylamino)-2-(trifluoromethyl)benzenecarboximidamide
CID 65483976

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-oxazol-2-ylsulfanyl)-2-(trifluoromethyl)benzenecarboximidamide?
The IUPAC name of 4-(1,3-oxazol-2-ylsulfanyl)-2-(trifluoromethyl)benzenecarboximidamide (CID 106922802) is 4-(1,3-oxazol-2-ylsulfanyl)-2-(trifluoromethyl)benzenecarboximidamide.
What is the SMILES notation for 4-(1,3-oxazol-2-ylsulfanyl)-2-(trifluoromethyl)benzenecarboximidamide?
The canonical SMILES for 4-(1,3-oxazol-2-ylsulfanyl)-2-(trifluoromethyl)benzenecarboximidamide is [H]/N=C(\N)c1ccc(Sc2ncco2)cc1C(F)(F)F.
What is the InChIKey of 4-(1,3-oxazol-2-ylsulfanyl)-2-(trifluoromethyl)benzenecarboximidamide?
The InChIKey is SKXCIYNHPWUYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3OS/c12-11(13,14)8-5-6(1-2-7(8)9(15)16)19-10-17-3-4-18-10/h1-5H,(H3,15,16).
What are the key properties of 4-(1,3-oxazol-2-ylsulfanyl)-2-(trifluoromethyl)benzenecarboximidamide?
4-(1,3-oxazol-2-ylsulfanyl)-2-(trifluoromethyl)benzenecarboximidamide has a molecular weight of 287.27 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-oxazol-2-ylsulfanyl)-2-(trifluoromethyl)benzenecarboximidamide is sourced from PubChem (CID 106922802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).