N-(2,2-dimethoxyethyl)-1,2,4-thiadiazol-5-amine

C6H11N3O2S — CID 107390184

IUPACN-(2,2-dimethoxyethyl)-1,2,4-thiadiazol-5-amine
SMILESCOC(CNc1ncns1)OC
InChIInChI=1S/C6H11N3O2S/c1-10-5(11-2)3-7-6-8-4-9-12-6/h4-5H,3H2,1-2H3,(H,7,8,9)
InChIKeyYCSWBPIIANMSMA-UHFFFAOYSA-N
MW189.24 g/mol
LogP0.57
Rot. Bonds5

About N-(2,2-dimethoxyethyl)-1,2,4-thiadiazol-5-amine

N-(2,2-dimethoxyethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 107390184) has the molecular formula C6H11N3O2S and a molecular weight of 189.24 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-1,2,4-thiadiazol-5-amine
PubChem CID107390184
Molecular FormulaC6H11N3O2S
Molecular Weight189.24 g/mol
Exact Mass189.06
IUPAC NameN-(2,2-dimethoxyethyl)-1,2,4-thiadiazol-5-amine
SMILESCOC(CNc1ncns1)OC
InChIInChI=1S/C6H11N3O2S/c1-10-5(11-2)3-7-6-8-4-9-12-6/h4-5H,3H2,1-2H3,(H,7,8,9)
InChIKeyYCSWBPIIANMSMA-UHFFFAOYSA-N
XLogP0.57
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.24
LogP ≤ 50.57
H-Bond Donors ≤ 51
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 N-(2,2-dimethoxyethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2,2-dimethoxyethyl)-1,2,4-thiadiazol-5-amine (CID 107390184) is N-(2,2-dimethoxyethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2,2-dimethoxyethyl)-1,2,4-thiadiazol-5-amine is COC(CNc1ncns1)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is YCSWBPIIANMSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2S/c1-10-5(11-2)3-7-6-8-4-9-12-6/h4-5H,3H2,1-2H3,(H,7,8,9).
What are the key properties of N-(2,2-dimethoxyethyl)-1,2,4-thiadiazol-5-amine?
N-(2,2-dimethoxyethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 189.24 g/mol, XLogP of 0.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 107390184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).