Basic information
- CAS
1416713-16-0- Standard SMILES
CC(C)(C)OC(=O)NCc1csc(Cl)n1- InChIKey
PVFXOTRAFXUDHZ-UHFFFAOYSA-N- Molecular formula
- C9H13ClN2O2S
- Average molar mass
- 248.73 g/mol
- Monoisotopic mass
- 248.0386265
Names & identifiers
- Preferred name
- tert-Butyl ((2-chlorothiazol-4-yl)methyl)carbamate
- IUPAC
- tert-butyl N-[(2-chloro-1,3-thiazol-4-yl)methyl]carbamate
Names & synonyms
1416713-16-0tert-Butyl ((2-chlorothiazol-4-yl)methyl)carbamateTERT-BUTYL N-[(2-CHLORO-1,3-THIAZOL-4-YL)METHYL]CARBAMATESCHEMBL17086062DTXSID201148443DB-159876N-BOC-4-AMINOMETHYL-2-CHLOROTHIAZOLEEN300-5103359tert-Butyl((2-chlorothiazol-4-yl)methyl)carbamatetert-Butyl [(2-chloro-1,3-thiazol-4-yl)methyl]carbamateCarbamic acid, N-[(2-chloro-4-thiazolyl)methyl]-, 1,1-dimethylethyl ester
Database identifiers
- CAS
1416713-16-0- PubChem CID
- 92133602
- DTXSID
DTXSID201148443
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 79.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 233
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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