5-(2,2-dimethoxyethylsulfanyl)-1,3,4-thiadiazol-2-amine

C6H11N3O2S2 — CID 81093628

IUPAC5-(2,2-dimethoxyethylsulfanyl)-1,3,4-thiadiazol-2-amine
SMILESCOC(CSc1nnc(N)s1)OC
InChIInChI=1S/C6H11N3O2S2/c1-10-4(11-2)3-12-6-9-8-5(7)13-6/h4H,3H2,1-2H3,(H2,7,8)
InChIKeyJQTOUAXDPVRYED-UHFFFAOYSA-N
MW221.31 g/mol
LogP0.83
Rot. Bonds5

About 5-(2,2-dimethoxyethylsulfanyl)-1,3,4-thiadiazol-2-amine

5-(2,2-dimethoxyethylsulfanyl)-1,3,4-thiadiazol-2-amine (PubChem CID 81093628) has the molecular formula C6H11N3O2S2 and a molecular weight of 221.31 g/mol. Its IUPAC name is 5-(2,2-dimethoxyethylsulfanyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(2,2-dimethoxyethylsulfanyl)-1,3,4-thiadiazol-2-amine
PubChem CID81093628
Molecular FormulaC6H11N3O2S2
Molecular Weight221.31 g/mol
Exact Mass221.03
IUPAC Name5-(2,2-dimethoxyethylsulfanyl)-1,3,4-thiadiazol-2-amine
SMILESCOC(CSc1nnc(N)s1)OC
InChIInChI=1S/C6H11N3O2S2/c1-10-4(11-2)3-12-6-9-8-5(7)13-6/h4H,3H2,1-2H3,(H2,7,8)
InChIKeyJQTOUAXDPVRYED-UHFFFAOYSA-N
XLogP0.83
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

5-(2-methylsulfanylethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 18777792
(2R)-3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propane-1,2-diol
CID 7107533
methyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate
CID 7784001
5-(4-methoxybutylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 115626683
ethane;5-propylsulfanyl-1,3,4-thiadiazol-2-amine
CID 142119097
2-(2,2-dimethoxyethylsulfanyl)-1,3,4-thiadiazole
CID 66224085
5-[4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]but-2-enylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 2872826
5-(3-methylsulfanylpropylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 115647521
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-chlorophenyl)ethanol
CID 47148704
3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propyl-dimethylazanium
CID 7107534
5-(isocyanomethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 20623947
methyl (E)-4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]but-2-enoate
CID 71670131

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethoxyethylsulfanyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(2,2-dimethoxyethylsulfanyl)-1,3,4-thiadiazol-2-amine (CID 81093628) is 5-(2,2-dimethoxyethylsulfanyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(2,2-dimethoxyethylsulfanyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(2,2-dimethoxyethylsulfanyl)-1,3,4-thiadiazol-2-amine is COC(CSc1nnc(N)s1)OC.
What is the InChIKey of 5-(2,2-dimethoxyethylsulfanyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is JQTOUAXDPVRYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2S2/c1-10-4(11-2)3-12-6-9-8-5(7)13-6/h4H,3H2,1-2H3,(H2,7,8).
What are the key properties of 5-(2,2-dimethoxyethylsulfanyl)-1,3,4-thiadiazol-2-amine?
5-(2,2-dimethoxyethylsulfanyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 221.31 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethoxyethylsulfanyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 81093628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).