ethane;6-methylimidazo[2,1-b][1,3,4]thiadiazole

C7H11N3S — CID 145275498

IUPACethane;6-methylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCC.Cc1cn2ncsc2n1
InChIInChI=1S/C5H5N3S.C2H6/c1-4-2-8-5(7-4)9-3-6-8;1-2/h2-3H,1H3;1-2H3
InChIKeyPZDDLTKANYDSLW-UHFFFAOYSA-N
MW169.25 g/mol
LogP2.13
Rot. Bonds

About ethane;6-methylimidazo[2,1-b][1,3,4]thiadiazole

ethane;6-methylimidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 145275498) has the molecular formula C7H11N3S and a molecular weight of 169.25 g/mol. Its IUPAC name is ethane;6-methylimidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Nameethane;6-methylimidazo[2,1-b][1,3,4]thiadiazole
PubChem CID145275498
Molecular FormulaC7H11N3S
Molecular Weight169.25 g/mol
Exact Mass169.07
IUPAC Nameethane;6-methylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCC.Cc1cn2ncsc2n1
InChIInChI=1S/C5H5N3S.C2H6/c1-4-2-8-5(7-4)9-3-6-8;1-2/h2-3H,1H3;1-2H3
InChIKeyPZDDLTKANYDSLW-UHFFFAOYSA-N
XLogP2.13
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;6-methylimidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of ethane;6-methylimidazo[2,1-b][1,3,4]thiadiazole (CID 145275498) is ethane;6-methylimidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for ethane;6-methylimidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for ethane;6-methylimidazo[2,1-b][1,3,4]thiadiazole is CC.Cc1cn2ncsc2n1.
What is the InChIKey of ethane;6-methylimidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is PZDDLTKANYDSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3S.C2H6/c1-4-2-8-5(7-4)9-3-6-8;1-2/h2-3H,1H3;1-2H3.
What are the key properties of ethane;6-methylimidazo[2,1-b][1,3,4]thiadiazole?
ethane;6-methylimidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 169.25 g/mol, XLogP of 2.13, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methylimidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 145275498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).