5-(2,5-difluorophenyl)-2-methyl-2-phenyl-3H-1,3,4-thiadiazole

C15H12F2N2S — CID 68503997

IUPAC5-(2,5-difluorophenyl)-2-methyl-2-phenyl-3H-1,3,4-thiadiazole
SMILESCC1(c2ccccc2)NN=C(c2cc(F)ccc2F)S1
InChIInChI=1S/C15H12F2N2S/c1-15(10-5-3-2-4-6-10)19-18-14(20-15)12-9-11(16)7-8-13(12)17/h2-9,19H,1H3
InChIKeyXTPYMTCHIADWKI-UHFFFAOYSA-N
MW290.34 g/mol
LogP3.84
Rot. Bonds2

About 5-(2,5-difluorophenyl)-2-methyl-2-phenyl-3H-1,3,4-thiadiazole

5-(2,5-difluorophenyl)-2-methyl-2-phenyl-3H-1,3,4-thiadiazole (PubChem CID 68503997) has the molecular formula C15H12F2N2S and a molecular weight of 290.34 g/mol. Its IUPAC name is 5-(2,5-difluorophenyl)-2-methyl-2-phenyl-3H-1,3,4-thiadiazole.

Molecular Properties

Compound Name5-(2,5-difluorophenyl)-2-methyl-2-phenyl-3H-1,3,4-thiadiazole
PubChem CID68503997
Molecular FormulaC15H12F2N2S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name5-(2,5-difluorophenyl)-2-methyl-2-phenyl-3H-1,3,4-thiadiazole
SMILESCC1(c2ccccc2)NN=C(c2cc(F)ccc2F)S1
InChIInChI=1S/C15H12F2N2S/c1-15(10-5-3-2-4-6-10)19-18-14(20-15)12-9-11(16)7-8-13(12)17/h2-9,19H,1H3
InChIKeyXTPYMTCHIADWKI-UHFFFAOYSA-N
XLogP3.84
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-difluorophenyl)-2-methyl-2-phenyl-3H-1,3,4-thiadiazole?
The IUPAC name of 5-(2,5-difluorophenyl)-2-methyl-2-phenyl-3H-1,3,4-thiadiazole (CID 68503997) is 5-(2,5-difluorophenyl)-2-methyl-2-phenyl-3H-1,3,4-thiadiazole.
What is the SMILES notation for 5-(2,5-difluorophenyl)-2-methyl-2-phenyl-3H-1,3,4-thiadiazole?
The canonical SMILES for 5-(2,5-difluorophenyl)-2-methyl-2-phenyl-3H-1,3,4-thiadiazole is CC1(c2ccccc2)NN=C(c2cc(F)ccc2F)S1.
What is the InChIKey of 5-(2,5-difluorophenyl)-2-methyl-2-phenyl-3H-1,3,4-thiadiazole?
The InChIKey is XTPYMTCHIADWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2S/c1-15(10-5-3-2-4-6-10)19-18-14(20-15)12-9-11(16)7-8-13(12)17/h2-9,19H,1H3.
What are the key properties of 5-(2,5-difluorophenyl)-2-methyl-2-phenyl-3H-1,3,4-thiadiazole?
5-(2,5-difluorophenyl)-2-methyl-2-phenyl-3H-1,3,4-thiadiazole has a molecular weight of 290.34 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-difluorophenyl)-2-methyl-2-phenyl-3H-1,3,4-thiadiazole is sourced from PubChem (CID 68503997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).