N-phenyl-5-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]-1,3,4-thiadiazol-2-amine

C19H12F3N3OS — CID 51368396

IUPACN-phenyl-5-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]-1,3,4-thiadiazol-2-amine
SMILESFC(F)(F)c1ccccc1-c1ccc(-c2nnc(Nc3ccccc3)s2)o1
InChIInChI=1S/C19H12F3N3OS/c20-19(21,22)14-9-5-4-8-13(14)15-10-11-16(26-15)17-24-25-18(27-17)23-12-6-2-1-3-7-12/h1-11H,(H,23,25)
InChIKeyXPFCOOIEAZLYPE-UHFFFAOYSA-N
MW387.39 g/mol
LogP6.23
Rot. Bonds4

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

N-phenyl-5-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]-1,3,4-thiadiazol-2-amine (PubChem CID 51368396) has the molecular formula C19H12F3N3OS and a molecular weight of 387.39 g/mol. Its IUPAC name is N-phenyl-5-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-phenyl-5-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]-1,3,4-thiadiazol-2-amine
PubChem CID51368396
Molecular FormulaC19H12F3N3OS
Molecular Weight387.39 g/mol
Exact Mass387.07
IUPAC NameN-phenyl-5-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]-1,3,4-thiadiazol-2-amine
SMILESFC(F)(F)c1ccccc1-c1ccc(-c2nnc(Nc3ccccc3)s2)o1
InChIInChI=1S/C19H12F3N3OS/c20-19(21,22)14-9-5-4-8-13(14)15-10-11-16(26-15)17-24-25-18(27-17)23-12-6-2-1-3-7-12/h1-11H,(H,23,25)
InChIKeyXPFCOOIEAZLYPE-UHFFFAOYSA-N
XLogP6.23
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.39
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-5-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-phenyl-5-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]-1,3,4-thiadiazol-2-amine (CID 51368396) is N-phenyl-5-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-phenyl-5-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-phenyl-5-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]-1,3,4-thiadiazol-2-amine is FC(F)(F)c1ccccc1-c1ccc(-c2nnc(Nc3ccccc3)s2)o1.
What is the InChIKey of N-phenyl-5-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]-1,3,4-thiadiazol-2-amine?
The InChIKey is XPFCOOIEAZLYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3N3OS/c20-19(21,22)14-9-5-4-8-13(14)15-10-11-16(26-15)17-24-25-18(27-17)23-12-6-2-1-3-7-12/h1-11H,(H,23,25).
What are the key properties of N-phenyl-5-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]-1,3,4-thiadiazol-2-amine?
N-phenyl-5-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]-1,3,4-thiadiazol-2-amine has a molecular weight of 387.39 g/mol, XLogP of 6.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-5-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 51368396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).