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885279-42-5 molecular structure
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4-(6-chloropyridin-3-yl)-1,3-thiazol-2-amine

ChemBase ID: 810888
Molecular Formular: C8H6ClN3S
Molecular Mass: 211.67134
Monoisotopic Mass: 210.99709589
SMILES and InChIs

SMILES:
Nc1scc(n1)c1cnc(cc1)Cl
Canonical SMILES:
Clc1ccc(cn1)c1csc(n1)N
InChI:
InChI=1S/C8H6ClN3S/c9-7-2-1-5(3-11-7)6-4-13-8(10)12-6/h1-4H,(H2,10,12)
InChIKey:
YEHPGCHIUQGCTN-UHFFFAOYSA-N

Cite this record

CBID:810888 http://www.chembase.cn/molecule-810888.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(6-chloropyridin-3-yl)-1,3-thiazol-2-amine
IUPAC Traditional name
4-(6-chloropyridin-3-yl)-1,3-thiazol-2-amine
Synonyms
4-(6-CHLORO-PYRIDIN-3-YL)-THIAZOL-2-YLAMINE
CAS Number
885279-42-5

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O29864 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O29864 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.664074  H Acceptors
H Donor LogD (pH = 5.5) 2.1134253 
LogD (pH = 7.4) 2.1268141  Log P 2.1269877 
Molar Refractivity 53.9135 cm3 Polarizability 21.225517 Å3
Polar Surface Area 51.8 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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