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383129-75-7 molecular structure
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4-(5-methylthiophen-2-yl)-1,3-thiazol-2-amine

ChemBase ID: 18112
Molecular Formular: C8H8N2S2
Molecular Mass: 196.29252
Monoisotopic Mass: 196.01289027
SMILES and InChIs

SMILES:
Nc1scc(n1)c1ccc(s1)C
Canonical SMILES:
Cc1ccc(s1)c1csc(n1)N
InChI:
InChI=1S/C8H8N2S2/c1-5-2-3-7(12-5)6-4-11-8(9)10-6/h2-4H,1H3,(H2,9,10)
InChIKey:
UXNSNCTVNSWUGZ-UHFFFAOYSA-N

Cite this record

CBID:18112 http://www.chembase.cn/molecule-18112.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(5-methylthiophen-2-yl)-1,3-thiazol-2-amine
IUPAC Traditional name
4-(5-methylthiophen-2-yl)-1,3-thiazol-2-amine
Synonyms
4-(5-Methyl-thiophen-2-yl)-thiazol-2-ylamine
4-(5-methyl-2-thienyl)-1,3-thiazol-2-amine
4-(5-methylthien-2-yl)-1,3-thiazol-2-amine
CAS Number
383129-75-7
MDL Number
MFCD02090886
PubChem SID
160981419
PubChem CID
2063929

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2063929 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.579708  H Acceptors
H Donor LogD (pH = 5.5) 2.9353497 
LogD (pH = 7.4) 2.9433444  Log P 2.943447 
Molar Refractivity 52.1505 cm3 Polarizability 20.607967 Å3
Polar Surface Area 38.91 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
129 - 131°C expand Show data source
Hydrophobicity(logP)
2.722 expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false 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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