5-((4-Isopropylphenoxy)methyl)-1,3,4-thiadiazol-2-amine
Basic information
- CAS
299441-42-2- Standard SMILES
CC(C)c1ccc(OCc2nnc(N)s2)cc1- InChIKey
LBZPSEHVIARHAX-UHFFFAOYSA-N- Molecular formula
- C12H15N3OS
- Average molar mass
- 249.33 g/mol
- Monoisotopic mass
- 249.09358328
Names & identifiers
- Preferred name
- 5-((4-Isopropylphenoxy)methyl)-1,3,4-thiadiazol-2-amine
- IUPAC
- 5-[(4-propan-2-ylphenoxy)methyl]-1,3,4-thiadiazol-2-amine
Names & synonyms
299441-42-25-((4-isopropylphenoxy)methyl)-1,3,4-thiadiazol-2-amine5-{[4-(propan-2-yl)phenoxy]methyl}-1,3,4-thiadiazol-2-amine5-[(4-isopropylphenoxy)methyl]-1,3,4-thiadiazol-2-aminestarbld0029960Oprea1_6432045-[(4-propan-2-ylphenoxy)methyl]-1,3,4-thiadiazol-2-amineDTXSID601182291MFCD03659015AKOS002672018VS-09577SR-01000286018
Show more names
SR-01000286018-15-[[4-(1-Methylethyl)phenoxy]methyl]-1,3,4-thiadiazol-2-amine
Database identifiers
- CAS
299441-42-2- PubChem CID
- 933320
- DTXSID
DTXSID601182291
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 89.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 232
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…