Basic information
- CAS
5528-06-3- Standard SMILES
Cc1ccc(-c2nnc(NC(=O)OCC(C)C)s2)cc1- InChIKey
FCXUUPLNOWKAKO-UHFFFAOYSA-N- Molecular formula
- C14H17N3O2S
- Average molar mass
- 291.37 g/mol
- Monoisotopic mass
- 291.10414797
Names & identifiers
- Preferred name
- 2-methylpropyl N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]carbamate
- IUPAC
- 2-methylpropyl N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]carbamate
Names & synonyms
5528-06-3isobutyl [5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]carbamateOprea1_013062Oprea1_248493DTXSID909706022-Methylpropyl [5-(4-methylphenyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate2-methylpropyl N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]carbamateAKOS000545092ST50231005AG-690/36920040SR-01000359446SR-01000359446-1
Show more names
isobutyl 5-(4-methylphenyl)-1,3,4-thiadiazol-2-ylcarbamateN-[5-(4-methylphenyl)(1,3,4-thiadiazol-2-yl)](2-methylpropoxy)carboxamide
Database identifiers
- CAS
5528-06-3- PubChem CID
- 809582
- DTXSID
DTXSID90970602
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 92.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 320
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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