5-{[2-(Morpholin-4-yl)ethyl]sulfanyl}-1,3,4-thiadiazol-2-amine
Basic information
- CAS
111461-29-1- Standard SMILES
Nc1nnc(SCCN2CCOCC2)s1- InChIKey
BIQLYWDPVYSFDO-UHFFFAOYSA-N- Molecular formula
- C8H14N4OS2
- Average molar mass
- 246.4 g/mol
- Monoisotopic mass
- 246.06090343
Names & identifiers
- Preferred name
- 5-{[2-(Morpholin-4-yl)ethyl]sulfanyl}-1,3,4-thiadiazol-2-amine
- IUPAC
- 5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-thiadiazol-2-amine
Names & synonyms
111461-29-11,3,4-Thiadiazol-2-amine, 5-[[2-(4-morpholinyl)ethyl]thio]-5-{[2-(morpholin-4-yl)ethyl]sulfanyl}-1,3,4-thiadiazol-2-amine5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-thiadiazol-2-amineSCHEMBL6375003DTXSID60586153STK270337AKOS000212102Z184526125-[(2-morpholin-4-ylethyl)thio]-1,3,4-thiadiazol-2-amine5-{[2-(4-morpholinyl)ethyl]thio}-1,3,4-thiadiazol-2-amine
Database identifiers
- CAS
111461-29-1- PubChem CID
- 16484110
- DTXSID
DTXSID60586153
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 191
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Compound notes
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