5-[(2-Oxo-2-pyrrolidin-1-ylethyl)thio]-1,3,4-thiadiazol-2-amine
Basic information
- CAS
401577-30-8- Standard SMILES
Nc1nnc(SCC(=O)N2CCCC2)s1- InChIKey
SYEPKTKKTFKMNZ-UHFFFAOYSA-N- Molecular formula
- C8H12N4OS2
- Average molar mass
- 244.3 g/mol
Names & identifiers
- Preferred name
- 5-[(2-Oxo-2-pyrrolidin-1-ylethyl)thio]-1,3,4-thiadiazol-2-amine
- IUPAC
- 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone
- English name
- 2-[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(1-pyrrolidinyl)-1-ethanone
- Molecular formula
- C8H12N4OS2
- Molecular weight
- 244.34
Names & synonyms
401577-30-85-[(2-oxo-2-pyrrolidin-1-ylethyl)thio]-1,3,4-thiadiazol-2-amineMFCD023174722-((5-Amino-1,3,4-thiadiazol-2-yl)thio)-1-(pyrrolidin-1-yl)ethanone2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone2-((5-Imino-4,5-dihydro-1,3,4-thiadiazol-2-yl)thio)-1-(pyrrolidin-1-yl)ethan-1-one2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(pyrrolidin-1-yl)ethan-1-onepyrrolidine, 1-[[(5-amino-1,3,4-thiadiazol-2-yl)thio]acetyl]-2-(5-amino(1,3,4-thiadiazol-2-ylthio))-1-pyrrolidinylethan-1-one2-(5-Amino-1,3,4-thiadiazol-2-ylthio)-1-(pyrrolidin-1-yl)ethanone2-Amino-5-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]thio}-1,3,4-thiadiazole2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(1-pyrrolidinyl)-1-ethanone
Show more names
Ethanone, 2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-1-(1-pyrrolidinyl)-
C8H12N4OS2SCHEMBL18719836TIMTEC-BB SBB002603SYEPKTKKTFKMNZ-UHFFFAOYSA-NALBB-023795SBB002603STK7339512-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(pyrrolidin-1-yl)ethanone
Database identifiers
- CAS
401577-30-8
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 235
Physicochemical properties
- form
- solid
- InChI
- 1S/C8H12N4OS2/c9-7-10-11-8(15-7)14-5-6(13)12-3-1-2-4-12/h1-5H2,(H2,9,10)
- InChIKey
- SYEPKTKKTFKMNZ-UHFFFAOYSA-N
- SMILES
- O=C(CSC1=NN=C(N)S1)N2CCCC2
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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