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

C18H20N2S — CID 91493017

IUPAC2-(2,5-dimethylphenyl)-5-phenyl-1,3,4-thiadiazole;ethane
SMILESCC.Cc1ccc(C)c(-c2nnc(-c3ccccc3)s2)c1
InChIInChI=1S/C16H14N2S.C2H6/c1-11-8-9-12(2)14(10-11)16-18-17-15(19-16)13-6-4-3-5-7-13;1-2/h3-10H,1-2H3;1-2H3
InChIKeyIIUMVISSFURSQS-UHFFFAOYSA-N
MW296.44 g/mol
LogP5.52
Rot. Bonds2

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

2-(2,5-dimethylphenyl)-5-phenyl-1,3,4-thiadiazole;ethane (PubChem CID 91493017) has the molecular formula C18H20N2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-5-phenyl-1,3,4-thiadiazole;ethane.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-5-phenyl-1,3,4-thiadiazole;ethane
PubChem CID91493017
Molecular FormulaC18H20N2S
Molecular Weight296.44 g/mol
Exact Mass296.13
IUPAC Name2-(2,5-dimethylphenyl)-5-phenyl-1,3,4-thiadiazole;ethane
SMILESCC.Cc1ccc(C)c(-c2nnc(-c3ccccc3)s2)c1
InChIInChI=1S/C16H14N2S.C2H6/c1-11-8-9-12(2)14(10-11)16-18-17-15(19-16)13-6-4-3-5-7-13;1-2/h3-10H,1-2H3;1-2H3
InChIKeyIIUMVISSFURSQS-UHFFFAOYSA-N
XLogP5.52
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.44
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-diphenyl-1,3,4-thiadiazole;ethane
CID 91287482
5-(2,5-dimethylphenyl)-1,3,4-thiadiazol-2-amine
CID 14091156
ethane;2-phenyl-5-(4-phenylphenyl)-1,3,4-thiadiazole
CID 145125829
2,5-bis(4-methylphenyl)-1,3,4-thiadiazole
CID 12680531
2,5-bis(2-methylphenyl)-1,3,4-thiadiazole
CID 139674338
2,5-bis(4-phenylphenyl)-1,3,4-thiadiazole
CID 122206222
2-(2,5-dimethylphenyl)-1,3-benzothiazole
CID 14365937
2-(6-methyl-3-pyridinyl)-5-phenyl-1,3,4-thiadiazole
CID 157204141
2-[6-(2,5-dimethylphenyl)-4-phenyl-1,3-benzothiazol-2-yl]aniline
CID 138712488
1-methyl-4-(4-methylphenyl)-2-phenylbenzene
CID 18683184
N-[(4-methylphenyl)methyl]-5-phenyl-1,3,4-thiadiazol-2-amine
CID 25473399
2-(2,5-dimethylphenyl)-4-methyl-1,3-thiazole
CID 116891864

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-5-phenyl-1,3,4-thiadiazole;ethane?
The IUPAC name of 2-(2,5-dimethylphenyl)-5-phenyl-1,3,4-thiadiazole;ethane (CID 91493017) is 2-(2,5-dimethylphenyl)-5-phenyl-1,3,4-thiadiazole;ethane.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-5-phenyl-1,3,4-thiadiazole;ethane?
The canonical SMILES for 2-(2,5-dimethylphenyl)-5-phenyl-1,3,4-thiadiazole;ethane is CC.Cc1ccc(C)c(-c2nnc(-c3ccccc3)s2)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-5-phenyl-1,3,4-thiadiazole;ethane?
The InChIKey is IIUMVISSFURSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2S.C2H6/c1-11-8-9-12(2)14(10-11)16-18-17-15(19-16)13-6-4-3-5-7-13;1-2/h3-10H,1-2H3;1-2H3.
What are the key properties of 2-(2,5-dimethylphenyl)-5-phenyl-1,3,4-thiadiazole;ethane?
2-(2,5-dimethylphenyl)-5-phenyl-1,3,4-thiadiazole;ethane has a molecular weight of 296.44 g/mol, XLogP of 5.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-5-phenyl-1,3,4-thiadiazole;ethane is sourced from PubChem (CID 91493017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).