5-(2-methylfuran-3-yl)sulfanyl-2-(trifluoromethyl)benzenecarboximidamide

C13H11F3N2OS — CID 107780408

IUPAC5-(2-methylfuran-3-yl)sulfanyl-2-(trifluoromethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Sc2ccoc2C)ccc1C(F)(F)F
InChIInChI=1S/C13H11F3N2OS/c1-7-11(4-5-19-7)20-8-2-3-10(13(14,15)16)9(6-8)12(17)18/h2-6H,1H3,(H3,17,18)
InChIKeyTVZWUNWVVFOXAV-UHFFFAOYSA-N
MW300.31 g/mol
LogP4.04
Rot. Bonds3

About 5-(2-methylfuran-3-yl)sulfanyl-2-(trifluoromethyl)benzenecarboximidamide

5-(2-methylfuran-3-yl)sulfanyl-2-(trifluoromethyl)benzenecarboximidamide (PubChem CID 107780408) has the molecular formula C13H11F3N2OS and a molecular weight of 300.31 g/mol. Its IUPAC name is 5-(2-methylfuran-3-yl)sulfanyl-2-(trifluoromethyl)benzenecarboximidamide.

Molecular Properties

Compound Name5-(2-methylfuran-3-yl)sulfanyl-2-(trifluoromethyl)benzenecarboximidamide
PubChem CID107780408
Molecular FormulaC13H11F3N2OS
Molecular Weight300.31 g/mol
Exact Mass300.05
IUPAC Name5-(2-methylfuran-3-yl)sulfanyl-2-(trifluoromethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Sc2ccoc2C)ccc1C(F)(F)F
InChIInChI=1S/C13H11F3N2OS/c1-7-11(4-5-19-7)20-8-2-3-10(13(14,15)16)9(6-8)12(17)18/h2-6H,1H3,(H3,17,18)
InChIKeyTVZWUNWVVFOXAV-UHFFFAOYSA-N
XLogP4.04
TPSA63.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylfuran-3-yl)sulfanyl-2-(trifluoromethyl)benzenecarboximidamide?
The IUPAC name of 5-(2-methylfuran-3-yl)sulfanyl-2-(trifluoromethyl)benzenecarboximidamide (CID 107780408) is 5-(2-methylfuran-3-yl)sulfanyl-2-(trifluoromethyl)benzenecarboximidamide.
What is the SMILES notation for 5-(2-methylfuran-3-yl)sulfanyl-2-(trifluoromethyl)benzenecarboximidamide?
The canonical SMILES for 5-(2-methylfuran-3-yl)sulfanyl-2-(trifluoromethyl)benzenecarboximidamide is [H]/N=C(\N)c1cc(Sc2ccoc2C)ccc1C(F)(F)F.
What is the InChIKey of 5-(2-methylfuran-3-yl)sulfanyl-2-(trifluoromethyl)benzenecarboximidamide?
The InChIKey is TVZWUNWVVFOXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2OS/c1-7-11(4-5-19-7)20-8-2-3-10(13(14,15)16)9(6-8)12(17)18/h2-6H,1H3,(H3,17,18).
What are the key properties of 5-(2-methylfuran-3-yl)sulfanyl-2-(trifluoromethyl)benzenecarboximidamide?
5-(2-methylfuran-3-yl)sulfanyl-2-(trifluoromethyl)benzenecarboximidamide has a molecular weight of 300.31 g/mol, XLogP of 4.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylfuran-3-yl)sulfanyl-2-(trifluoromethyl)benzenecarboximidamide is sourced from PubChem (CID 107780408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).