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

C8H15N3S — CID 156893269

IUPACethane;3-methyl-1,2,4-thiadiazole-5-carbonitrile
SMILESCC.CC.Cc1nsc(C#N)n1
InChIInChI=1S/C4H3N3S.2C2H6/c1-3-6-4(2-5)8-7-3;2*1-2/h1H3;2*1-2H3
InChIKeyDCEUDTIDXQRREH-UHFFFAOYSA-N
MW185.30 g/mol
LogP2.77
Rot. Bonds

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

ethane;3-methyl-1,2,4-thiadiazole-5-carbonitrile (PubChem CID 156893269) has the molecular formula C8H15N3S and a molecular weight of 185.30 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 CID156893269
Molecular FormulaC8H15N3S
Molecular Weight185.30 g/mol
Exact Mass185.10
IUPAC Nameethane;3-methyl-1,2,4-thiadiazole-5-carbonitrile
SMILESCC.CC.Cc1nsc(C#N)n1
InChIInChI=1S/C4H3N3S.2C2H6/c1-3-6-4(2-5)8-7-3;2*1-2/h1H3;2*1-2H3
InChIKeyDCEUDTIDXQRREH-UHFFFAOYSA-N
XLogP2.77
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.30
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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 156893269) 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.CC.Cc1nsc(C#N)n1.
What is the InChIKey of ethane;3-methyl-1,2,4-thiadiazole-5-carbonitrile?
The InChIKey is DCEUDTIDXQRREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3N3S.2C2H6/c1-3-6-4(2-5)8-7-3;2*1-2/h1H3;2*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 185.30 g/mol, XLogP of 2.77, 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 156893269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).