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162104756 molecular structure
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4-(4-tert-butyl-1,3-thiazol-2-yl)piperidine

ChemBase ID: 90495
Molecular Formular: C12H20N2S
Molecular Mass: 224.3656
Monoisotopic Mass: 224.13471965
SMILES and InChIs

SMILES:
s1c(nc(c1)C(C)(C)C)C1CCNCC1
Canonical SMILES:
CC(c1csc(n1)C1CCNCC1)(C)C
InChI:
InChI=1S/C12H20N2S/c1-12(2,3)10-8-15-11(14-10)9-4-6-13-7-5-9/h8-9,13H,4-7H2,1-3H3
InChIKey:
JQYOZZMLTAZELM-UHFFFAOYSA-N

Cite this record

CBID:90495 http://www.chembase.cn/molecule-90495.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(4-tert-butyl-1,3-thiazol-2-yl)piperidine
IUPAC Traditional name
4-(4-tert-butyl-1,3-thiazol-2-yl)piperidine
Synonyms
4-(tert-Butyl)-2-(piperidin-4-yl)-1,3-thiazole
4-[(4-tert-Butyl)-1,3-thiazol-2-yl]piperidine
PubChem SID
162104756
PubChem CID
13747808

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR60174 external link Add to cart Please log in.
Data Source Data ID
PubChem 13747808 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.4216259  LogD (pH = 7.4) 0.3899061 
Log P 2.7895877  Molar Refractivity 64.4326 cm3
Polarizability 25.30462 Å3 Polar Surface Area 24.92 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Harmful/Keep Cold expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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