ethane;3-methyl-1,2,4-thiadiazole-5-carbonitrile

C6H9N3S — CID 142404188

IUPACethane;3-methyl-1,2,4-thiadiazole-5-carbonitrile
SMILESCC.Cc1nsc(C#N)n1
InChIInChI=1S/C4H3N3S.C2H6/c1-3-6-4(2-5)8-7-3;1-2/h1H3;1-2H3
InChIKeyVRYQVCILXVGYLM-UHFFFAOYSA-N
MW155.23 g/mol
LogP1.74
Rot. Bonds

About ethane;3-methyl-1,2,4-thiadiazole-5-carbonitrile

ethane;3-methyl-1,2,4-thiadiazole-5-carbonitrile (PubChem CID 142404188) has the molecular formula C6H9N3S and a molecular weight of 155.23 g/mol. Its IUPAC name is ethane;3-methyl-1,2,4-thiadiazole-5-carbonitrile.

Molecular Properties

Compound Nameethane;3-methyl-1,2,4-thiadiazole-5-carbonitrile
PubChem CID142404188
Molecular FormulaC6H9N3S
Molecular Weight155.23 g/mol
Exact Mass155.05
IUPAC Nameethane;3-methyl-1,2,4-thiadiazole-5-carbonitrile
SMILESCC.Cc1nsc(C#N)n1
InChIInChI=1S/C4H3N3S.C2H6/c1-3-6-4(2-5)8-7-3;1-2/h1H3;1-2H3
InChIKeyVRYQVCILXVGYLM-UHFFFAOYSA-N
XLogP1.74
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.23
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Dimethyl-1,2,4-thiadiazole
CID 13028086
5-(Bromomethyl)-3-methyl-1,2,4-thiadiazole
CID 143843685
3,5-Diethyl-1,2,4-thiadiazole
CID 67571441
5-Methyl-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 20718414
3-Methyl-5-(trifluoromethyl)-1,2,4-thiadiazole
CID 23528318
Ethane;5-methyl-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 144394777
1,2,4-Thiadiazole-3,5-dicarbonitrile
CID 13172353
(3-Methyl-[1,2,4]thiadiazol-5-yl)-acetonitrile
CID 12260131
3-Methyl-5-propan-2-yl-1,2,4-thiadiazole
CID 20605582
(5-Methyl-1,2,4-thiadiazol-3-yl)methanethiol
CID 20699673
3,5-Di(propan-2-yl)-1,2,4-thiadiazole
CID 21054923
3-Methyl-1,2,4-thiadiazole-5-carbonitrile
CID 22099279

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-1,2,4-thiadiazole-5-carbonitrile?
The IUPAC name of ethane;3-methyl-1,2,4-thiadiazole-5-carbonitrile (CID 142404188) is ethane;3-methyl-1,2,4-thiadiazole-5-carbonitrile.
What is the SMILES notation for ethane;3-methyl-1,2,4-thiadiazole-5-carbonitrile?
The canonical SMILES for ethane;3-methyl-1,2,4-thiadiazole-5-carbonitrile is CC.Cc1nsc(C#N)n1.
What is the InChIKey of ethane;3-methyl-1,2,4-thiadiazole-5-carbonitrile?
The InChIKey is VRYQVCILXVGYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3N3S.C2H6/c1-3-6-4(2-5)8-7-3;1-2/h1H3;1-2H3.
What are the key properties of ethane;3-methyl-1,2,4-thiadiazole-5-carbonitrile?
ethane;3-methyl-1,2,4-thiadiazole-5-carbonitrile has a molecular weight of 155.23 g/mol, XLogP of 1.74, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-1,2,4-thiadiazole-5-carbonitrile is sourced from PubChem (CID 142404188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).