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MFCD11180022 molecular structure
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5-methyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-amine

ChemBase ID: 270143
Molecular Formular: C9H10N2S2
Molecular Mass: 210.3191
Monoisotopic Mass: 210.02854033
SMILES and InChIs

SMILES:
c1(nc(sc1C)N)c1sc(cc1)C
Canonical SMILES:
Cc1ccc(s1)c1nc(sc1C)N
InChI:
InChI=1S/C9H10N2S2/c1-5-3-4-7(12-5)8-6(2)13-9(10)11-8/h3-4H,1-2H3,(H2,10,11)
InChIKey:
FGDYEAHQCXLQQU-UHFFFAOYSA-N

Cite this record

CBID:270143 http://www.chembase.cn/molecule-270143.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-methyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-amine
IUPAC Traditional name
5-methyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-amine
Synonyms
5-methyl-4-(5-methylthien-2-yl)-1,3-thiazol-2-amine
MDL Number
MFCD11180022
PubChem SID
164326053
PubChem CID
43141094

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-68877 external link Add to cart Please log in.
Data Source Data ID
PubChem 43141094 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 17.562334  H Acceptors
H Donor LogD (pH = 5.5) 3.5601697 
LogD (pH = 7.4) 3.588928  Log P 3.589308 
Molar Refractivity 57.2068 cm3 Polarizability 22.367088 Å3
Polar Surface Area 38.91 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
127 - 129°C expand Show data source
Hydrophobicity(logP)
3.066 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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