2-(2,2-dimethoxyethylsulfanyl)-1,3,4-thiadiazole

C6H10N2O2S2 — CID 66224085

IUPAC2-(2,2-dimethoxyethylsulfanyl)-1,3,4-thiadiazole
SMILESCOC(CSc1nncs1)OC
InChIInChI=1S/C6H10N2O2S2/c1-9-5(10-2)3-11-6-8-7-4-12-6/h4-5H,3H2,1-2H3
InChIKeyDXPXPVOJMHZHGD-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.25
Rot. Bonds5

About 2-(2,2-dimethoxyethylsulfanyl)-1,3,4-thiadiazole

2-(2,2-dimethoxyethylsulfanyl)-1,3,4-thiadiazole (PubChem CID 66224085) has the molecular formula C6H10N2O2S2 and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-(2,2-dimethoxyethylsulfanyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(2,2-dimethoxyethylsulfanyl)-1,3,4-thiadiazole
PubChem CID66224085
Molecular FormulaC6H10N2O2S2
Molecular Weight206.29 g/mol
Exact Mass206.02
IUPAC Name2-(2,2-dimethoxyethylsulfanyl)-1,3,4-thiadiazole
SMILESCOC(CSc1nncs1)OC
InChIInChI=1S/C6H10N2O2S2/c1-9-5(10-2)3-11-6-8-7-4-12-6/h4-5H,3H2,1-2H3
InChIKeyDXPXPVOJMHZHGD-UHFFFAOYSA-N
XLogP1.25
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethoxyethylsulfanyl)-1,3,4-thiadiazole?
The IUPAC name of 2-(2,2-dimethoxyethylsulfanyl)-1,3,4-thiadiazole (CID 66224085) is 2-(2,2-dimethoxyethylsulfanyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(2,2-dimethoxyethylsulfanyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(2,2-dimethoxyethylsulfanyl)-1,3,4-thiadiazole is COC(CSc1nncs1)OC.
What is the InChIKey of 2-(2,2-dimethoxyethylsulfanyl)-1,3,4-thiadiazole?
The InChIKey is DXPXPVOJMHZHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2S2/c1-9-5(10-2)3-11-6-8-7-4-12-6/h4-5H,3H2,1-2H3.
What are the key properties of 2-(2,2-dimethoxyethylsulfanyl)-1,3,4-thiadiazole?
2-(2,2-dimethoxyethylsulfanyl)-1,3,4-thiadiazole has a molecular weight of 206.29 g/mol, XLogP of 1.25, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethoxyethylsulfanyl)-1,3,4-thiadiazole is sourced from PubChem (CID 66224085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).