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30235-26-8 molecular structure
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4-(pyridin-2-yl)-1,3-thiazol-2-amine

ChemBase ID: 30019
Molecular Formular: C8H7N3S
Molecular Mass: 177.22628
Monoisotopic Mass: 177.03606824
SMILES and InChIs

SMILES:
n1c(csc1N)c1ncccc1
Canonical SMILES:
Nc1scc(n1)c1ccccn1
InChI:
InChI=1S/C8H7N3S/c9-8-11-7(5-12-8)6-3-1-2-4-10-6/h1-5H,(H2,9,11)
InChIKey:
BLKHMTAXNXLDJP-UHFFFAOYSA-N

Cite this record

CBID:30019 http://www.chembase.cn/molecule-30019.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(pyridin-2-yl)-1,3-thiazol-2-amine
IUPAC Traditional name
4-(pyridin-2-yl)-1,3-thiazol-2-amine
Synonyms
4-Pyridin-2-yl-thiazol-2-ylamine
4-(pyridin-2-yl)thiazol-2-amine
4-(2-pyridinyl)-1,3-thiazol-2-amine
2-Amino-4-(2-pyridyl)thiazole
CAS Number
30235-26-8
MDL Number
MFCD00460417
PubChem SID
160993326
PubChem CID
1092459

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.507267  H Acceptors
H Donor LogD (pH = 5.5) 1.6885463 
LogD (pH = 7.4) 1.6886153  Log P 1.6886163 
Molar Refractivity 47.6754 cm3 Polarizability 19.291815 Å3
Polar Surface Area 51.8 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
135 - 137°C expand Show data source
Partition Coefficient
0.817 expand Show data source
Hydrophobicity(logP)
1.149 expand Show data source
Storage Warning
IRRITANT expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37-60 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Purity
95% expand Show data source
95+% expand Show data source
97% expand Show data source
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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