2-[2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethoxy]ethanol

C8H15N3O2S2 — CID 63736962

IUPAC2-[2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethoxy]ethanol
SMILESCN(C)c1nnc(SCCOCCO)s1
InChIInChI=1S/C8H15N3O2S2/c1-11(2)7-9-10-8(15-7)14-6-5-13-4-3-12/h12H,3-6H2,1-2H3
InChIKeyVWWUQAAEDLSOFM-UHFFFAOYSA-N
MW249.36 g/mol
LogP0.71
Rot. Bonds7

About 2-[2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethoxy]ethanol

2-[2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethoxy]ethanol (PubChem CID 63736962) has the molecular formula C8H15N3O2S2 and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-[2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethoxy]ethanol
PubChem CID63736962
Molecular FormulaC8H15N3O2S2
Molecular Weight249.36 g/mol
Exact Mass249.06
IUPAC Name2-[2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethoxy]ethanol
SMILESCN(C)c1nnc(SCCOCCO)s1
InChIInChI=1S/C8H15N3O2S2/c1-11(2)7-9-10-8(15-7)14-6-5-13-4-3-12/h12H,3-6H2,1-2H3
InChIKeyVWWUQAAEDLSOFM-UHFFFAOYSA-N
XLogP0.71
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[5-(Dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanol
CID 63736608
1-[[5-(Dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-methoxypropan-2-ol
CID 63930063
1-[[5-(Dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-ethoxypropan-2-ol
CID 63934691
1-[[5-(Dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-propan-2-yloxypropan-2-ol
CID 63987838
3-[[5-(Dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propane-1,2-diol
CID 79822181
2-[2-[[5-(Dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethoxy]ethanethiol
CID 80040569
1-[[5-(Dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(2-methoxyethoxy)propan-2-ol
CID 106992477
1-[[5-(Dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106992478
1-Butoxy-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-ol
CID 113938568

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethoxy]ethanol?
The IUPAC name of 2-[2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethoxy]ethanol (CID 63736962) is 2-[2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethoxy]ethanol?
The canonical SMILES for 2-[2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethoxy]ethanol is CN(C)c1nnc(SCCOCCO)s1.
What is the InChIKey of 2-[2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethoxy]ethanol?
The InChIKey is VWWUQAAEDLSOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2S2/c1-11(2)7-9-10-8(15-7)14-6-5-13-4-3-12/h12H,3-6H2,1-2H3.
What are the key properties of 2-[2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethoxy]ethanol?
2-[2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethoxy]ethanol has a molecular weight of 249.36 g/mol, XLogP of 0.71, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethoxy]ethanol is sourced from PubChem (CID 63736962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).