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299417-31-5 molecular structure
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5-tert-butyl-1,3-thiazol-2-amine

ChemBase ID: 269230
Molecular Formular: C7H12N2S
Molecular Mass: 156.24858
Monoisotopic Mass: 156.07211939
SMILES and InChIs

SMILES:
s1c(ncc1C(C)(C)C)N
Canonical SMILES:
CC(c1cnc(s1)N)(C)C
InChI:
InChI=1S/C7H12N2S/c1-7(2,3)5-4-9-6(8)10-5/h4H,1-3H3,(H2,8,9)
InChIKey:
YPVUVTIITAMAPQ-UHFFFAOYSA-N

Cite this record

CBID:269230 http://www.chembase.cn/molecule-269230.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-tert-butyl-1,3-thiazol-2-amine
IUPAC Traditional name
5-tert-butyl-1,3-thiazol-2-amine
Synonyms
5-tert-butyl-1,3-thiazol-2-amine
CAS Number
299417-31-5
MDL Number
MFCD02170355
PubChem SID
164325140
PubChem CID
676485

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 676485 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 17.579851  H Acceptors
H Donor LogD (pH = 5.5) 1.9400146 
LogD (pH = 7.4) 2.1609247  Log P 2.1648583 
Molar Refractivity 43.8901 cm3 Polarizability 16.52513 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
79 - 81°C expand Show data source
Hydrophobicity(logP)
2.055 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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