2,5-diphenyl-1,3,4-thiadiazole;ethane

C20H28N2S — CID 91287482

IUPAC2,5-diphenyl-1,3,4-thiadiazole;ethane
SMILESCC.CC.CC.c1ccc(-c2nnc(-c3ccccc3)s2)cc1
InChIInChI=1S/C14H10N2S.3C2H6/c1-3-7-11(8-4-1)13-15-16-14(17-13)12-9-5-2-6-10-12;3*1-2/h1-10H;3*1-2H3
InChIKeyANTLLZAYWYZBGZ-UHFFFAOYSA-N
MW328.53 g/mol
LogP6.95
Rot. Bonds2

About 2,5-diphenyl-1,3,4-thiadiazole;ethane

2,5-diphenyl-1,3,4-thiadiazole;ethane (PubChem CID 91287482) has the molecular formula C20H28N2S and a molecular weight of 328.53 g/mol. Its IUPAC name is 2,5-diphenyl-1,3,4-thiadiazole;ethane.

Molecular Properties

Compound Name2,5-diphenyl-1,3,4-thiadiazole;ethane
PubChem CID91287482
Molecular FormulaC20H28N2S
Molecular Weight328.53 g/mol
Exact Mass328.20
IUPAC Name2,5-diphenyl-1,3,4-thiadiazole;ethane
SMILESCC.CC.CC.c1ccc(-c2nnc(-c3ccccc3)s2)cc1
InChIInChI=1S/C14H10N2S.3C2H6/c1-3-7-11(8-4-1)13-15-16-14(17-13)12-9-5-2-6-10-12;3*1-2/h1-10H;3*1-2H3
InChIKeyANTLLZAYWYZBGZ-UHFFFAOYSA-N
XLogP6.95
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.53
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;2-phenyl-5-(4-phenylphenyl)-1,3,4-thiadiazole
CID 145125829
2,5-bis(4-phenylphenyl)-1,3,4-thiadiazole
CID 122206222
2-tert-butyl-5-phenyl-1,3,4-thiadiazole
CID 58088024
2-(2,5-dimethylphenyl)-5-phenyl-1,3,4-thiadiazole;ethane
CID 91493017
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
2-ethynyl-5-phenyl-1,3,4-thiadiazole
CID 130778477
ethane;2-phenyl-1,3,4-thiadiazole
CID 142010140
2-(diazomethyl)-5-phenyl-1,3,4-thiadiazole
CID 24942095
5-phenyl-N-pyridin-4-yl-1,3,4-thiadiazol-2-amine
CID 5147983
benzene;1,1'-biphenyl;ethane
CID 158550617

Frequently Asked Questions

What is the IUPAC name of 2,5-diphenyl-1,3,4-thiadiazole;ethane?
The IUPAC name of 2,5-diphenyl-1,3,4-thiadiazole;ethane (CID 91287482) is 2,5-diphenyl-1,3,4-thiadiazole;ethane.
What is the SMILES notation for 2,5-diphenyl-1,3,4-thiadiazole;ethane?
The canonical SMILES for 2,5-diphenyl-1,3,4-thiadiazole;ethane is CC.CC.CC.c1ccc(-c2nnc(-c3ccccc3)s2)cc1.
What is the InChIKey of 2,5-diphenyl-1,3,4-thiadiazole;ethane?
The InChIKey is ANTLLZAYWYZBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2S.3C2H6/c1-3-7-11(8-4-1)13-15-16-14(17-13)12-9-5-2-6-10-12;3*1-2/h1-10H;3*1-2H3.
What are the key properties of 2,5-diphenyl-1,3,4-thiadiazole;ethane?
2,5-diphenyl-1,3,4-thiadiazole;ethane has a molecular weight of 328.53 g/mol, XLogP of 6.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diphenyl-1,3,4-thiadiazole;ethane is sourced from PubChem (CID 91287482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).