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1438-45-5 molecular structure
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N-cyclohexyl-1,3-thiazol-2-amine

ChemBase ID: 229639
Molecular Formular: C9H14N2S
Molecular Mass: 182.28586
Monoisotopic Mass: 182.08776946
SMILES and InChIs

SMILES:
c1(nccs1)NC1CCCCC1
Canonical SMILES:
C1CCC(CC1)Nc1nccs1
InChI:
InChI=1S/C9H14N2S/c1-2-4-8(5-3-1)11-9-10-6-7-12-9/h6-8H,1-5H2,(H,10,11)
InChIKey:
XFDXDDHWWVQGRU-UHFFFAOYSA-N

Cite this record

CBID:229639 http://www.chembase.cn/molecule-229639.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-cyclohexyl-1,3-thiazol-2-amine
IUPAC Traditional name
N-cyclohexyl-1,3-thiazol-2-amine
Synonyms
Cyclohexyl-thiazol-2-yl-amine
CAS Number
1438-45-5
MDL Number
MFCD00520360
PubChem SID
164285549
PubChem CID
842041

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-02426 external link Add to cart Please log in.
Data Source Data ID
PubChem 842041 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.481887  H Acceptors
H Donor LogD (pH = 5.5) 2.57722 
LogD (pH = 7.4) 2.588195  Log P 2.5883372 
Molar Refractivity 51.9477 cm3 Polarizability 19.556307 Å3
Polar Surface Area 24.92 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
148 - 150°C expand Show data source
Hydrophobicity(logP)
3.064 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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