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45865-42-7 molecular structure
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5-tert-butyl-4-methyl-1,3-thiazol-2-amine

ChemBase ID: 13450
Molecular Formular: C8H14N2S
Molecular Mass: 170.27516
Monoisotopic Mass: 170.08776946
SMILES and InChIs

SMILES:
n1c(c(sc1N)C(C)(C)C)C
Canonical SMILES:
Nc1nc(c(s1)C(C)(C)C)C
InChI:
InChI=1S/C8H14N2S/c1-5-6(8(2,3)4)11-7(9)10-5/h1-4H3,(H2,9,10)
InChIKey:
WCDNODZFXIBEJD-UHFFFAOYSA-N

Cite this record

CBID:13450 http://www.chembase.cn/molecule-13450.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-tert-butyl-4-methyl-1,3-thiazol-2-amine
IUPAC Traditional name
5-tert-butyl-4-methyl-1,3-thiazol-2-amine
Synonyms
5-tert-Butyl-4-methyl-thiazol-2-ylamine
CAS Number
45865-42-7
MDL Number
MFCD03724919
PubChem SID
160976757
PubChem CID
1081536

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
010876 external link Add to cart Please log in.
Data Source Data ID
PubChem 1081536 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 17.687456  H Acceptors
H Donor LogD (pH = 5.5) 2.1102076 
LogD (pH = 7.4) 2.2932687  Log P 2.2962284 
Molar Refractivity 48.4816 cm3 Polarizability 18.27959 Å3
Polar Surface Area 38.91 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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