1-thiophen-3-yl-2-[2-(trifluoromethyl)phenyl]guanidine

C12H10F3N3S — CID 71549272

IUPAC1-thiophen-3-yl-2-[2-(trifluoromethyl)phenyl]guanidine
SMILESN/C(=N\c1ccccc1C(F)(F)F)Nc1ccsc1
InChIInChI=1S/C12H10F3N3S/c13-12(14,15)9-3-1-2-4-10(9)18-11(16)17-8-5-6-19-7-8/h1-7H,(H3,16,17,18)
InChIKeyDSDRNKAHSLTIJH-UHFFFAOYSA-N
MW285.29 g/mol
LogP3.83
Rot. Bonds2

About 1-thiophen-3-yl-2-[2-(trifluoromethyl)phenyl]guanidine

1-thiophen-3-yl-2-[2-(trifluoromethyl)phenyl]guanidine (PubChem CID 71549272) has the molecular formula C12H10F3N3S and a molecular weight of 285.29 g/mol. Its IUPAC name is 1-thiophen-3-yl-2-[2-(trifluoromethyl)phenyl]guanidine.

Molecular Properties

Compound Name1-thiophen-3-yl-2-[2-(trifluoromethyl)phenyl]guanidine
PubChem CID71549272
Molecular FormulaC12H10F3N3S
Molecular Weight285.29 g/mol
Exact Mass285.05
IUPAC Name1-thiophen-3-yl-2-[2-(trifluoromethyl)phenyl]guanidine
SMILESN/C(=N\c1ccccc1C(F)(F)F)Nc1ccsc1
InChIInChI=1S/C12H10F3N3S/c13-12(14,15)9-3-1-2-4-10(9)18-11(16)17-8-5-6-19-7-8/h1-7H,(H3,16,17,18)
InChIKeyDSDRNKAHSLTIJH-UHFFFAOYSA-N
XLogP3.83
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 1-thiophen-3-yl-2-[2-(trifluoromethyl)phenyl]guanidine?
The IUPAC name of 1-thiophen-3-yl-2-[2-(trifluoromethyl)phenyl]guanidine (CID 71549272) is 1-thiophen-3-yl-2-[2-(trifluoromethyl)phenyl]guanidine.
What is the SMILES notation for 1-thiophen-3-yl-2-[2-(trifluoromethyl)phenyl]guanidine?
The canonical SMILES for 1-thiophen-3-yl-2-[2-(trifluoromethyl)phenyl]guanidine is N/C(=N\c1ccccc1C(F)(F)F)Nc1ccsc1.
What is the InChIKey of 1-thiophen-3-yl-2-[2-(trifluoromethyl)phenyl]guanidine?
The InChIKey is DSDRNKAHSLTIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3S/c13-12(14,15)9-3-1-2-4-10(9)18-11(16)17-8-5-6-19-7-8/h1-7H,(H3,16,17,18).
What are the key properties of 1-thiophen-3-yl-2-[2-(trifluoromethyl)phenyl]guanidine?
1-thiophen-3-yl-2-[2-(trifluoromethyl)phenyl]guanidine has a molecular weight of 285.29 g/mol, XLogP of 3.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-3-yl-2-[2-(trifluoromethyl)phenyl]guanidine is sourced from PubChem (CID 71549272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).