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143543-81-1 molecular structure
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N-[2-(4-methoxyphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine

ChemBase ID: 231620
Molecular Formular: C12H16N2OS
Molecular Mass: 236.33324
Monoisotopic Mass: 236.09833414
SMILES and InChIs

SMILES:
C1(=NCCS1)NCCc1ccc(cc1)OC
Canonical SMILES:
COc1ccc(cc1)CCNC1=NCCS1
InChI:
InChI=1S/C12H16N2OS/c1-15-11-4-2-10(3-5-11)6-7-13-12-14-8-9-16-12/h2-5H,6-9H2,1H3,(H,13,14)
InChIKey:
WOBMKEGHBJRELE-UHFFFAOYSA-N

Cite this record

CBID:231620 http://www.chembase.cn/molecule-231620.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[2-(4-methoxyphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
IUPAC Traditional name
N-[2-(4-methoxyphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
Synonyms
(4,5-Dihydro-thiazol-2-yl)-[2-(4-methoxy-phenyl)-ethyl]-amine
CAS Number
143543-81-1
MDL Number
MFCD03270529
PubChem SID
164287530
PubChem CID
2423956

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-05494 external link Add to cart Please log in.
Data Source Data ID
PubChem 2423956 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.04749747  LogD (pH = 7.4) 0.7274058 
Log P 2.3389986  Molar Refractivity 68.3007 cm3
Polarizability 26.19429 Å3 Polar Surface Area 33.62 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
1.069 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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