2-[5-[2-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]guanidine

C10H8F3N5S — CID 14140338

IUPAC2-[5-[2-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]guanidine
SMILESNC(N)=Nc1nnc(-c2ccccc2C(F)(F)F)s1
InChIInChI=1S/C10H8F3N5S/c11-10(12,13)6-4-2-1-3-5(6)7-17-18-9(19-7)16-8(14)15/h1-4H,(H4,14,15,16,18)
InChIKeyZAMFFYDRAUJXOA-UHFFFAOYSA-N
MW287.27 g/mol
LogP2.13
Rot. Bonds2

About 2-[5-[2-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]guanidine

2-[5-[2-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]guanidine (PubChem CID 14140338) has the molecular formula C10H8F3N5S and a molecular weight of 287.27 g/mol. Its IUPAC name is 2-[5-[2-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]guanidine.

Molecular Properties

Compound Name2-[5-[2-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]guanidine
PubChem CID14140338
Molecular FormulaC10H8F3N5S
Molecular Weight287.27 g/mol
Exact Mass287.05
IUPAC Name2-[5-[2-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]guanidine
SMILESNC(N)=Nc1nnc(-c2ccccc2C(F)(F)F)s1
InChIInChI=1S/C10H8F3N5S/c11-10(12,13)6-4-2-1-3-5(6)7-17-18-9(19-7)16-8(14)15/h1-4H,(H4,14,15,16,18)
InChIKeyZAMFFYDRAUJXOA-UHFFFAOYSA-N
XLogP2.13
TPSA90.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 52.13
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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Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]guanidine?
The IUPAC name of 2-[5-[2-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]guanidine (CID 14140338) is 2-[5-[2-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]guanidine.
What is the SMILES notation for 2-[5-[2-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]guanidine?
The canonical SMILES for 2-[5-[2-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]guanidine is NC(N)=Nc1nnc(-c2ccccc2C(F)(F)F)s1.
What is the InChIKey of 2-[5-[2-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]guanidine?
The InChIKey is ZAMFFYDRAUJXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N5S/c11-10(12,13)6-4-2-1-3-5(6)7-17-18-9(19-7)16-8(14)15/h1-4H,(H4,14,15,16,18).
What are the key properties of 2-[5-[2-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]guanidine?
2-[5-[2-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]guanidine has a molecular weight of 287.27 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]guanidine is sourced from PubChem (CID 14140338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).