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MFCD17480443 molecular structure
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N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)quinolin-3-amine

ChemBase ID: 270650
Molecular Formular: C13H13N3S
Molecular Mass: 243.32742
Monoisotopic Mass: 243.08301843
SMILES and InChIs

SMILES:
C1(=NCC(S1)C)Nc1cc2c(nc1)cccc2
Canonical SMILES:
CC1CN=C(S1)Nc1cnc2c(c1)cccc2
InChI:
InChI=1S/C13H13N3S/c1-9-7-15-13(17-9)16-11-6-10-4-2-3-5-12(10)14-8-11/h2-6,8-9H,7H2,1H3,(H,15,16)
InChIKey:
VUIDEJQXUNKAIY-UHFFFAOYSA-N

Cite this record

CBID:270650 http://www.chembase.cn/molecule-270650.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)quinolin-3-amine
IUPAC Traditional name
N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)quinolin-3-amine
Synonyms
N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)quinolin-3-amine
MDL Number
MFCD17480443
PubChem SID
164326560
PubChem CID
50987798

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-69662 external link Add to cart Please log in.
Data Source Data ID
PubChem 50987798 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.6991253  LogD (pH = 7.4) 2.9343982 
Log P 2.9384096  Molar Refractivity 72.3406 cm3
Polarizability 28.562965 Å3 Polar Surface Area 37.28 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
144 - 146°C expand Show data source
Hydrophobicity(logP)
2.049 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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