5-(Piperidin-4-yl)-1,3,4-thiadiazol-2-amine
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Basic information
- CAS
881040-24-0- Standard SMILES
Nc1nnc(C2CCNCC2)s1- InChIKey
KESVFQUWHKHBOI-UHFFFAOYSA-N- Molecular formula
- C7H12N4S
- Average molar mass
- 184.26 g/mol
- Monoisotopic mass
- 184.07826757
Names & identifiers
- Preferred name
- 5-(Piperidin-4-yl)-1,3,4-thiadiazol-2-amine
- IUPAC
- 5-piperidin-4-yl-1,3,4-thiadiazol-2-amine
- English name
- 5-piperidin-4-yl-1,3,4-thiadiazol-2-amine
- Molecular formula
- C7H12N4S
- Molecular weight
- 184.26
Names & synonyms
881040-24-05-(piperidin-4-yl)-1,3,4-thiadiazol-2-amine5-(4-PIPERIDINYL)-1,3,4-THIADIAZOL-2-AMINE5-piperidin-4-yl-1,3,4-thiadiazol-2-amineMFCD049668455-(4-piperidyl)-1,3,4-thiadiazol-2-amineSCHEMBL978867DTXSID701268751STK893157AKOS001476259SB41546AS-48372
Show more names
DB-100065CS-0315491F305811,3,4-Thiadiazol-2-amine, 5-(4-piperidinyl)-F5008235-(Piperidin-4-yl)-1,3,4-thiadiazol-2(3H)-imine
Database identifiers
- CAS
881040-24-0- PubChem CID
- 4714978
- DTXSID
DTXSID701268751
Properties
Computed structural propertiesFilling in
- XLogP
- 0.2
- Topological polar surface area
- 92.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 148
Physicochemical properties
- Boiling point
- 371.1 · 371.1±52.0 °C(Predicted)
- Density
- 1.271 · 1.271±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- 9.63 · 9.63±0.10(Predicted)
- Appearance
- White to off-white Solid
- InChI
- InChI=1S/C7H12N4S/c8-7-11-10-6(12-7)5-1-3-9-4-2-5/h5,9H,1-4H2,(H2,8,11)
- InChIKey
- KESVFQUWHKHBOI-UHFFFAOYSA-N
- SMILES
- S1C(C2CCNCC2)=NN=C1N
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 280 · P280-P305+P351+P338-P310
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
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- Hazard statements
- H314
- Precautionary statements
- P280-P305+P351+P338-P310
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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