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7496-55-1 molecular structure
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4-cyclohexyl-1,3-thiazol-2-amine

ChemBase ID: 113897
Molecular Formular: C9H14N2S
Molecular Mass: 182.28586
Monoisotopic Mass: 182.08776946
SMILES and InChIs

SMILES:
n1c(scc1C1CCCCC1)N
Canonical SMILES:
Nc1scc(n1)C1CCCCC1
InChI:
InChI=1S/C9H14N2S/c10-9-11-8(6-12-9)7-4-2-1-3-5-7/h6-7H,1-5H2,(H2,10,11)
InChIKey:
JLGBFRLWPQHZAJ-UHFFFAOYSA-N

Cite this record

CBID:113897 http://www.chembase.cn/molecule-113897.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-cyclohexyl-1,3-thiazol-2-amine
IUPAC Traditional name
4-cyclohexyl-1,3-thiazol-2-amine
Synonyms
4-Cyclohexyl-1,3-thiazol-2-amine
CAS Number
7496-55-1
MDL Number
MFCD03473352
PubChem SID
162099002
PubChem CID
346930

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 346930 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.929878  H Acceptors
H Donor LogD (pH = 5.5) 2.655835 
LogD (pH = 7.4) 2.7311788  Log P 2.732235 
Molar Refractivity 51.2338 cm3 Polarizability 19.473396 Å3
Polar Surface Area 38.91 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Partition Coefficient
2.103 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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