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MFCD09891527 molecular structure
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3-[4-(propan-2-yl)-1,3-thiazol-2-yl]piperidine

ChemBase ID: 280204
Molecular Formular: C11H18N2S
Molecular Mass: 210.33902
Monoisotopic Mass: 210.11906959
SMILES and InChIs

SMILES:
n1c(scc1C(C)C)C1CNCCC1
Canonical SMILES:
CC(c1csc(n1)C1CCCNC1)C
InChI:
InChI=1S/C11H18N2S/c1-8(2)10-7-14-11(13-10)9-4-3-5-12-6-9/h7-9,12H,3-6H2,1-2H3
InChIKey:
KOJUTHALZHVPGR-UHFFFAOYSA-N

Cite this record

CBID:280204 http://www.chembase.cn/molecule-280204.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-[4-(propan-2-yl)-1,3-thiazol-2-yl]piperidine
IUPAC Traditional name
3-(4-isopropyl-1,3-thiazol-2-yl)piperidine
Synonyms
3-[4-(propan-2-yl)-1,3-thiazol-2-yl]piperidine
MDL Number
MFCD09891527
PubChem SID
180665735
PubChem CID
24261806

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-87294 external link Add to cart Please log in.
Data Source Data ID
PubChem 24261806 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.7959487  LogD (pH = 7.4) 0.2280323 
Log P 2.389481  Molar Refractivity 59.7776 cm3
Polarizability 23.463142 Å3 Polar Surface Area 24.92 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
2.264 expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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