1,1-Dimethylethyl N-(1-((2-chloro-5-thiazolyl)methyl)-4-piperidinyl)carbamate
Basic information
- CAS
939986-54-6- Standard SMILES
CC(C)(C)OC(=O)NC1CCN(Cc2cnc(Cl)s2)CC1- InChIKey
YXZZBHAUQUREIP-UHFFFAOYSA-N- Molecular formula
- C14H22ClN3O2S
- Average molar mass
- 331.9 g/mol
- Monoisotopic mass
- 331.1121258
Names & identifiers
- Preferred name
- 1,1-Dimethylethyl N-(1-((2-chloro-5-thiazolyl)methyl)-4-piperidinyl)carbamate
- IUPAC
- tert-butyl N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidin-4-yl]carbamate
- English name
- [1-(2-Chloro-thiazol-5-ylMethyl)-piperidin-4-yl]-carbaMic acid tert-butyl ester, 98+% C14H22ClN3O2S, MW: 331.86
- Molecular formula
- C14H22ClN3O2S
- Molecular weight
- 331.86
Names & synonyms
939986-54-6RefChem:10518191,1-Dimethylethyl N-(1-((2-chloro-5-thiazolyl)methyl)-4-piperidinyl)carbamate[1-(2-Chloro-thiazol-5-ylmethyl)-piperidin-4-yl]-carbamic acid tert-butyl estertert-Butyl (1-((2-chlorothiazol-5-yl)methyl)piperidin-4-yl)carbamatetert-butyl N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidin-4-yl]carbamateSCHEMBL16854336DTXSID30671626SBB075293AKOS015941130DB-310569G76355
Show more names
N-[1-[(2-Chloro-5-thiazolyl)methyl]-4-piperidinyl]carbamic acid tert-butyl esterCarbamic acid, N-[1-[(2-chloro-5-thiazolyl)methyl]-4-piperidinyl]-, 1,1-dimethylethyl ester[1-(2-Chloro-thiazol-5-ylMethyl)-piperidin-4-yl]-carbaMic acid tert-butyl ester, 98+% C14H22ClN3O2S, MW: 331.86
F089321tert-Butyl {1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidin-4-yl}carbamatetert-butyl N-[1-[(2-chlorothiazol-5-yl)methyl]-4-piperidyl]carbamatetert-Butyl(1-((2-chlorothiazol-5-yl)methyl)piperidin-4-yl)carbamate(tert-butoxy)-N-{1-[(2-chloro(1,3-thiazol-5-yl))methyl](4-piperidyl)}carboxami de
Database identifiers
- CAS
939986-54-6- PubChem CID
- 45787152
- DTXSID
DTXSID30671626
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 82.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 357
Physicochemical properties
- Density
- 1.25 · 1.25
- storage temp.
- 2 · 2-8°C, protect from light, stored under nitrogen
- Appearance
- Off-white to light yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Warning
- Symbol(GHS)
- GHS07
- 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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