ethane;2-phenyl-1,3,4-thiadiazole

C10H12N2S — CID 142010140

IUPACethane;2-phenyl-1,3,4-thiadiazole
SMILESCC.c1ccc(-c2nncs2)cc1
InChIInChI=1S/C8H6N2S.C2H6/c1-2-4-7(5-3-1)8-10-9-6-11-8;1-2/h1-6H;1-2H3
InChIKeyKNYJBEXLQFTLPM-UHFFFAOYSA-N
MW192.29 g/mol
LogP3.23
Rot. Bonds1

About ethane;2-phenyl-1,3,4-thiadiazole

ethane;2-phenyl-1,3,4-thiadiazole (PubChem CID 142010140) has the molecular formula C10H12N2S and a molecular weight of 192.29 g/mol. Its IUPAC name is ethane;2-phenyl-1,3,4-thiadiazole.

Molecular Properties

Compound Nameethane;2-phenyl-1,3,4-thiadiazole
PubChem CID142010140
Molecular FormulaC10H12N2S
Molecular Weight192.29 g/mol
Exact Mass192.07
IUPAC Nameethane;2-phenyl-1,3,4-thiadiazole
SMILESCC.c1ccc(-c2nncs2)cc1
InChIInChI=1S/C8H6N2S.C2H6/c1-2-4-7(5-3-1)8-10-9-6-11-8;1-2/h1-6H;1-2H3
InChIKeyKNYJBEXLQFTLPM-UHFFFAOYSA-N
XLogP3.23
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.29
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethane;2-phenyl-1,3,4-thiadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-phenylphenyl)-1,3,4-thiadiazole
CID 54288467
2-[4-(bromomethyl)phenyl]-1,3,4-thiadiazole
CID 86094021
2-pyridin-3-yl-1,3,4-thiadiazole
CID 19871284
2-(1,3,4-thiadiazol-2-yl)aniline
CID 21271879
2-(3-fluorophenyl)-1,3,4-thiadiazole
CID 130052469
2,5-diphenyl-1,3,4-thiadiazole;ethane
CID 91287482
2-(1,3,4-thiadiazol-2-yl)phenol
CID 135744207
ethane;2-phenyl-5-(4-phenylphenyl)-1,3,4-thiadiazole
CID 145125829
ethane;2-methyl-1,3,4-thiadiazole;toluene
CID 91576744
2-(4-dodecylphenyl)-1,3,4-thiadiazole
CID 141273812
benzene;1,1'-biphenyl;ethane
CID 158550617
2-[2-(3-ethylphenyl)-1H-imidazol-5-yl]-1,3,4-thiadiazole
CID 137094885

Frequently Asked Questions

What is the IUPAC name of ethane;2-phenyl-1,3,4-thiadiazole?
The IUPAC name of ethane;2-phenyl-1,3,4-thiadiazole (CID 142010140) is ethane;2-phenyl-1,3,4-thiadiazole.
What is the SMILES notation for ethane;2-phenyl-1,3,4-thiadiazole?
The canonical SMILES for ethane;2-phenyl-1,3,4-thiadiazole is CC.c1ccc(-c2nncs2)cc1.
What is the InChIKey of ethane;2-phenyl-1,3,4-thiadiazole?
The InChIKey is KNYJBEXLQFTLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2S.C2H6/c1-2-4-7(5-3-1)8-10-9-6-11-8;1-2/h1-6H;1-2H3.
What are the key properties of ethane;2-phenyl-1,3,4-thiadiazole?
ethane;2-phenyl-1,3,4-thiadiazole has a molecular weight of 192.29 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-phenyl-1,3,4-thiadiazole is sourced from PubChem (CID 142010140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).