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

C6H11N3O2S2 — CID 61071093

IUPAC2-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethoxy]ethanol
SMILESNc1nnc(SCCOCCO)s1
InChIInChI=1S/C6H11N3O2S2/c7-5-8-9-6(13-5)12-4-3-11-2-1-10/h10H,1-4H2,(H2,7,8)
InChIKeyGHOWIOINTWITNS-UHFFFAOYSA-N
MW221.31 g/mol
LogP0.22
Rot. Bonds6

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

2-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethoxy]ethanol (PubChem CID 61071093) has the molecular formula C6H11N3O2S2 and a molecular weight of 221.31 g/mol. Its IUPAC name is 2-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethoxy]ethanol
PubChem CID61071093
Molecular FormulaC6H11N3O2S2
Molecular Weight221.31 g/mol
Exact Mass221.03
IUPAC Name2-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethoxy]ethanol
SMILESNc1nnc(SCCOCCO)s1
InChIInChI=1S/C6H11N3O2S2/c7-5-8-9-6(13-5)12-4-3-11-2-1-10/h10H,1-4H2,(H2,7,8)
InChIKeyGHOWIOINTWITNS-UHFFFAOYSA-N
XLogP0.22
TPSA81.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-(4-methoxybutylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 115626683
ethane;5-propylsulfanyl-1,3,4-thiadiazol-2-amine
CID 142119097
5-(2-methylsulfanylethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 18777792
5-(3-chloropropylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 13142198
5-[2-(2,6-dichlorophenoxy)ethylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 30043620
5-(3-methylsulfanylpropylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 115647521
3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propyl-dimethylazanium
CID 7107534
(2R)-3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propane-1,2-diol
CID 7107533
5-[4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]but-2-enylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 2872826
N-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]acetamide
CID 24659819
methyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate
CID 7784001
5-(2,2-dimethoxyethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 81093628

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethoxy]ethanol?
The IUPAC name of 2-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethoxy]ethanol (CID 61071093) is 2-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethoxy]ethanol?
The canonical SMILES for 2-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethoxy]ethanol is Nc1nnc(SCCOCCO)s1.
What is the InChIKey of 2-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethoxy]ethanol?
The InChIKey is GHOWIOINTWITNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2S2/c7-5-8-9-6(13-5)12-4-3-11-2-1-10/h10H,1-4H2,(H2,7,8).
What are the key properties of 2-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethoxy]ethanol?
2-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethoxy]ethanol has a molecular weight of 221.31 g/mol, XLogP of 0.22, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethoxy]ethanol is sourced from PubChem (CID 61071093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).