ethane;2-phenyl-5-(4-phenylphenyl)-1,3,4-thiadiazole

C26H32N2S — CID 145125829

IUPACethane;2-phenyl-5-(4-phenylphenyl)-1,3,4-thiadiazole
SMILESCC.CC.CC.c1ccc(-c2ccc(-c3nnc(-c4ccccc4)s3)cc2)cc1
InChIInChI=1S/C20H14N2S.3C2H6/c1-3-7-15(8-4-1)16-11-13-18(14-12-16)20-22-21-19(23-20)17-9-5-2-6-10-17;3*1-2/h1-14H;3*1-2H3
InChIKeyYGEAHYDVNLBTHD-UHFFFAOYSA-N
MW404.62 g/mol
LogP8.62
Rot. Bonds3

About ethane;2-phenyl-5-(4-phenylphenyl)-1,3,4-thiadiazole

ethane;2-phenyl-5-(4-phenylphenyl)-1,3,4-thiadiazole (PubChem CID 145125829) has the molecular formula C26H32N2S and a molecular weight of 404.62 g/mol. Its IUPAC name is ethane;2-phenyl-5-(4-phenylphenyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Nameethane;2-phenyl-5-(4-phenylphenyl)-1,3,4-thiadiazole
PubChem CID145125829
Molecular FormulaC26H32N2S
Molecular Weight404.62 g/mol
Exact Mass404.23
IUPAC Nameethane;2-phenyl-5-(4-phenylphenyl)-1,3,4-thiadiazole
SMILESCC.CC.CC.c1ccc(-c2ccc(-c3nnc(-c4ccccc4)s3)cc2)cc1
InChIInChI=1S/C20H14N2S.3C2H6/c1-3-7-15(8-4-1)16-11-13-18(14-12-16)20-22-21-19(23-20)17-9-5-2-6-10-17;3*1-2/h1-14H;3*1-2H3
InChIKeyYGEAHYDVNLBTHD-UHFFFAOYSA-N
XLogP8.62
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.62
LogP ≤ 58.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-diphenyl-1,3,4-thiadiazole;ethane
CID 91287482
2,5-bis(4-phenylphenyl)-1,3,4-thiadiazole
CID 122206222
2-tert-butyl-5-phenyl-1,3,4-thiadiazole
CID 58088024
2-(6-methyl-3-pyridinyl)-5-phenyl-1,3,4-thiadiazole
CID 157204141
N,N-dimethyl-1-[4-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]methanamine
CID 59953851
2,5-bis(4-methylphenyl)-1,3,4-thiadiazole
CID 12680531
1,4-bis[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene;ethane;1-phenyl-4-[4-[4-[4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 162041275
2-(2,5-dimethylphenyl)-5-phenyl-1,3,4-thiadiazole;ethane
CID 91493017
benzene;1,1'-biphenyl;ethane
CID 158550617
ethane;2-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propan-2-ol
CID 144948289
1,4-diphenylbenzene;ethane;methanamine
CID 168951795
2-ethynyl-5-phenyl-1,3,4-thiadiazole
CID 130778477

Frequently Asked Questions

What is the IUPAC name of ethane;2-phenyl-5-(4-phenylphenyl)-1,3,4-thiadiazole?
The IUPAC name of ethane;2-phenyl-5-(4-phenylphenyl)-1,3,4-thiadiazole (CID 145125829) is ethane;2-phenyl-5-(4-phenylphenyl)-1,3,4-thiadiazole.
What is the SMILES notation for ethane;2-phenyl-5-(4-phenylphenyl)-1,3,4-thiadiazole?
The canonical SMILES for ethane;2-phenyl-5-(4-phenylphenyl)-1,3,4-thiadiazole is CC.CC.CC.c1ccc(-c2ccc(-c3nnc(-c4ccccc4)s3)cc2)cc1.
What is the InChIKey of ethane;2-phenyl-5-(4-phenylphenyl)-1,3,4-thiadiazole?
The InChIKey is YGEAHYDVNLBTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2S.3C2H6/c1-3-7-15(8-4-1)16-11-13-18(14-12-16)20-22-21-19(23-20)17-9-5-2-6-10-17;3*1-2/h1-14H;3*1-2H3.
What are the key properties of ethane;2-phenyl-5-(4-phenylphenyl)-1,3,4-thiadiazole?
ethane;2-phenyl-5-(4-phenylphenyl)-1,3,4-thiadiazole has a molecular weight of 404.62 g/mol, XLogP of 8.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-phenyl-5-(4-phenylphenyl)-1,3,4-thiadiazole is sourced from PubChem (CID 145125829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).